Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Bromoethane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Bromoethane SCHEMBL27723948 | 1.00 | — | — | |
| Bromoethane SCHEMBL989958 | 0.93 | — | — | |
| Bromoethane SCHEMBL1330309 | 0.93 | — | — | |
| Bromoethane SCHEMBL1331842 | 0.93 | — | — | |
| Bromoethane SCHEMBL2322 | 0.93 | — | — | |
| Bromoethane SCHEMBL11040936 | 0.88 | — | — | |
| Bromoethane SCHEMBL23628450 | 0.86 | — | — | |
| Bromoethane SCHEMBL8586792 | 0.86 | — | — | |
| Bromoethane SCHEMBL11585879 | 0.86 | — | — | |
| Bromoethane SCHEMBL349037 | 0.86 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022034987-A1 | METHOD FOR MANUFACTURING PEROVSKITE THIN FILM SOLAR CELL | 주식회사 메카로에너지 | 2022-02-17 | — | — | WO | claimed |
| EP-4585599-A1 | NITROGEN-CONTAINING FUSED RING COMPOUND, INTERMEDIATE THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF | Hangzhou Synrx Therapeutics Biomedical Technology Co., Ltd. (CN) | 2025-07-16 | — | — | EP | disclosed |
| CN-116554167-A | Deuterated indolone derivative and application thereof in medicine | 成都百裕制药股份有限公司 | 2023-08-08 | — | — | CN | disclosed |
| EP-2978315-A1 | PROCESS FOR PREPARING SULFIMINES AND THEIR IN-SITU CONVERSION INTO N-(2-AMINO-BENZOYL)-SULFIMINES | BASF SE (DE) | 2016-02-03 | — | — | EP | disclosed |
| WO-2014154807-A1 | PROCESS FOR PREPARING SULFIMINES AND THEIR IN-SITU CONVERSION INTO N-(2-AMINO-BENZOYL)-SULFIMINES | BASF SE (DE) | 2014-10-02 | — | — | WO | disclosed |
| CN-101874804-A | Anti-drug resistance antibiotic | YUN SUN | 2010-11-03 | — | — | CN | disclosed |
| US-20080027652-A1 | Computer implemented method for for selecting an optimally diverse library of small molecules based on validated molecular structural descriptors | SILICON VALLEY BANK | 2008-01-31 | — | — | US | disclosed |
| US-7184893-B2 | Method for selecting an optimally diverse library of small molecules based on validated molecular structural descriptors | TRIPOS, INC. (US) | 2007-02-27 | — | — | US | disclosed |
| US-7136758-B2 | Virtual library searchable for possible combinatorially derived product molecules having desired properties without the necessity of generating product structures | TRIPOS, L.P. | 2006-11-14 | — | — | US | disclosed |
| US-7096162-B2 | Computer-implemented method of merging libraries of molecules using validated molecular structural descriptors and neighborhood distances to maximize diversity and minimize redundancy | CERTARA, L.P. | 2006-08-22 | — | — | US | disclosed |
| US-20030078735-A1 | Method for selecting an optimally diverse library of small molecules based on validated molecular structural descriptors | PATTERSON DAVID E (US) | 2003-04-24 | — | — | US | disclosed |
| US-20030065448-A1 | Method for selecting an optimally diverse library of small molecules based on validated molecular structural descriptors | CRAMER RICHARD D (US) | 2003-04-03 | — | — | US | disclosed |
| US-20020099526-A1 | Further method of creating and rapidly searching a virtual library of potential molecules using validated molecular structural descriptors | TRIPOS, L.P. | 2002-07-25 | — | — | US | disclosed |
| US-20020099525-A1 | Further method of creating and rapidly searching a virtual library of potential molecules using validated molecular structural descriptors | PATTERSON DAVID E (US) | 2002-07-25 | — | — | US | disclosed |
| US-6240374-B1 | Further method of creating and rapidly searching a virtual library of potential molecules using validated molecular structural descriptors | TRIPOS, INC. | 2001-05-29 | — | — | US | disclosed |
| US-6185506-B1 | Method for selecting an optimally diverse library of small molecules based on validated molecular structural descriptors | TRIPOS, INC. | 2001-02-06 | — | — | US | disclosed |
| EP-0892963-A1 | METHOD OF CREATING AND SEARCHING A MOLECULAR VIRTUAL LIBRARY USING VALIDATED MOLECULAR STRUCTURE DESCRIPTORS | Patterson, David E. (US) | 1999-01-27 | — | — | EP | disclosed |
| WO-1997027559-A1 | METHOD OF CREATING AND SEARCHING A MOLECULAR VIRTUAL LIBRARY USING VALIDATED MOLECULAR STRUCTURE DESCRIPTORS | PATTERSON DAVID E (US) | 1997-07-31 | — | — | WO | disclosed |
| CN-1017619-B | SUBSTITUTED AMINE DERIVATIVES PRODN. AND USE | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1992-07-29 | — | — | CN | disclosed |
| CN-88100804-A | Substituted amine derivatives, their preparation and use | — | 1988-08-24 | — | — | CN | disclosed |