Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Bromide. 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 | |
|---|---|---|---|---|
| SCHEMBL67348 | 0.97 | — | — | |
| SCHEMBL30419542 | 0.94 | TSHR (0.53) | — | |
| Iodide SCHEMBL7953647 | 0.94 | — | — | |
| SCHEMBL5829989 | 0.94 | TSHR (0.53) | — | |
| SCHEMBL7947978 | 0.94 | — | — | |
| SCHEMBL9161372 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL5076752 | 0.94 | — | — | |
| SCHEMBL3563862 | 0.94 | TSHR (0.53) | — | |
| SCHEMBL22472034 | 0.94 | — | — | |
| Benzene SCHEMBL27988746 | 0.94 | TSHR (0.53) | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111518145-B | Cyano-bridged metal organic compound with intramolecular magnetic transformation and preparation method and application thereof | 荆楚理工学院 | 2023-06-20 | — | — | CN | disclosed |
| CN-110143857-B | Synthetic method of semi-gossypol, gossypol and analogs thereof | 华南理工大学 | 2021-11-30 | — | — | CN | disclosed |
| US-10202413-B2 | Neuroactive enantiomeric 15-, 16- and 17-substituted steroids as modulators for GABA type-A receptors | WASHINGTON UNIVERSITY (US) | 2019-02-12 | — | — | US | disclosed |
| US-20160251391-A9 | NEUROACTIVE ENANTIOMERIC 15-, 16- AND 17-SUBSTITUTED STEROIDS AS MODULATORS FOR GABA TYPE-A RECEPTORS | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2016-09-01 | — | — | US | disclosed |
| EP-2956466-A1 | NEUROACTIVE ENANTIOMERIC 15-, 16- AND 17-SUBSTITUTED STEROIDS AS MODULATORS FOR GABA TYPE-A RECEPTORS | Washington University (US) | 2015-12-23 | — | — | EP | disclosed |
| US-20150361125-A1 | NEUROACTIVE ENANTIOMERIC 15-, 16- AND 17-SUBSTITUTED STEROIDS AS MODULATORS FOR GABA TYPE-A RECEPTORS | UNIV WASHINGTON (US) | 2015-12-17 | — | — | US | disclosed |
| WO-2014127201-A1 | NEUROACTIVE ENANTIOMERIC 15-, 16- AND 17-SUBSTITUTED STEROIDS AS MODULATORS FOR GABA TYPE-A RECEPTORS | WASHINGTON UNIVERSITY (US) | 2014-08-21 | — | — | WO | disclosed |
| US-20130072727-A1 | PROCESS FOR PRODUCING ETHYLENE GLYCOL CATALYZED BY IONIC LIQUID | INSTITUTE OF PROCESS ENGINEERING, CHINESE ACADEMY OF SCIENCES (CN) | 2013-03-21 | — | — | US | disclosed |
| EP-2227482-A1 | 2',4'-SUBSTITUTED NUCLEOSIDES AS ANTIVIRAL AGENTS | Pharmasset, Inc. (US) | 2010-09-15 | — | — | EP | disclosed |
| WO-2009067409-A1 | 2',4'-SUBSTITUTED NUCLEOSIDES AS ANTIVIRAL AGENTS | PHARMASSET, INC. (US) | 2009-05-28 | — | — | WO | disclosed |
| CN-1108289-C | Difluoroprostaglundin derivatives and their use | ASAHI GLASS CO LTD (JP) | 2003-05-14 | — | — | CN | disclosed |
| WO-2001038287-A1 | ADDUCTS OF GLYCIDYLESTERS OF α,α-BRANCHED CARBOXYLIC ACIDS AND CARBOXYLIC ACIDS AND PROCESS FOR THEIR PREPARATION | RESOLUTION RESEARCH NEDERLAND B.V. (NL) | 2001-05-31 | — | — | WO | disclosed |
| CN-1187486-A | Difluoroprostaglundin Derivatives and their use | ASAHI GLASS CO LTD (JP) | 1998-07-15 | — | — | CN | disclosed |
| EP-0199564-B1 | POLYHYDROXY POLYETHER, PROCESS FOR ITS PRODUCTION AND ITS USE | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1991-03-06 | — | — | EP | disclosed |
| US-4874859-A | CROSSLINKING AGENT | SOCIETE CHIMIQUE DES CHARBONNAGES (FR) | 1989-10-17 | — | — | US | disclosed |
| US-4675373-A | GAS BARRIER | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1987-06-23 | — | — | US | disclosed |
| EP-0199564-A2 | Polyhydroxy polyether, process for its production and its use | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1986-10-29 | — | — | EP | disclosed |