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 | |
|---|---|---|---|---|
| SCHEMBL150795 | 0.94 | — | — | |
| Magnesium SCHEMBL31500308 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL2120330 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL28220752 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL28281522 | 0.84 | — | — | |
| SCHEMBL28114551 | 0.71 | — | — | |
| Bromide SCHEMBL7135885 | 0.67 | — | — | |
| Bromide SCHEMBL28414955 | 0.63 | — | — | |
| Bromide SCHEMBL27592202 | 0.63 | — | — | |
| Isobutane SCHEMBL28999929 | 0.60 | ALDH1A1 (0.43) | — |
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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100352821-C | Rosuvastain calcium intermediate preparation method | LUNAN PHARM GROUP CORP (CN) | 2007-12-05 | — | — | CN | claimed |
| CN-1740158-A | Synthesis process of Tilofiban hydrochloride intermediate | LUNAN PHARM GROUP CORP (CN) | 2006-03-01 | — | — | CN | claimed |
| CN-1733774-A | Rosuvastain calcium intermediate preparation method | LUNAN PHARM GROUP CORP (CN) | 2006-02-15 | — | — | CN | claimed |
| US-20240027901-A1 | PHOTOACID GENERATOR, AND PHOTOSENSITIVE COMPOSITION USING SAME | SAN-APRO LTD. (JP) | 2024-01-25 | — | — | US | disclosed |
| EP-4261214-A1 | PHOTOACID GENERATOR, AND PHOTOSENSITIVE COMPOSITION USING SAME | San-Apro Ltd. (JP) | 2023-10-18 | — | — | EP | disclosed |
| US-11560367-B2 | Pyrrolidinones and a process to prepare them | FMC CORPORATION (US) | 2023-01-24 | — | — | US | disclosed |
| CN-115504920-A | Pyrrolidone and preparation method thereof | FMC公司 | 2022-12-23 | — | — | CN | disclosed |
| CN-110691516-B | Pyrrolidone and preparation method thereof | FMC公司 | 2022-10-28 | — | — | CN | disclosed |
| WO-2022163377-A1 | PHOTOSENSITIZER | サンアプロ株式会社 | 2022-08-04 | — | — | WO | disclosed |
| US-20210107890-A1 | PYRROLIDINONES AND A PROCESS TO PREPARE THEM | FMC CORPORATION | 2021-04-15 | — | — | US | disclosed |
| US-10875838-B2 | Pyrrolidinones and a process to prepare them | FMC CORPORATION (US) | 2020-12-29 | — | — | US | disclosed |
| US-7094594-B2 | Process for preparing optically active 2-[6-(hydroxy-methyl)-1,3-dioxan-4-yl] acetic acid derivatives | KANEKA CORPORATION (JP) | 2006-08-22 | — | — | US | disclosed |
| WO-2006021277-A1 | MONOMERS, OLIGOMERS AND POLYMERS OF THIENO[2,3-b]THIOPHENE | MERCK PATENT GMBH (DE) | 2006-03-02 | — | — | WO | disclosed |
| CN-1733774-A | Rosuvastain calcium intermediate preparation method | LUNAN PHARM GROUP CORP (CN) | 2006-02-15 | — | — | CN | disclosed |
| US-20050080277-A1 | Process for preparing optically active 2-[6-(hydroxy-methyl)-1,3-dioxan-4-yl] acetic acid derivatives | KANEKA CORPORATION (JP) | 2005-04-14 | — | — | US | disclosed |
| EP-1288213-A1 | PROCESS FOR PREPARING OPTICALLY ACTIVE 2- 6-(HYDROXY-METHYL)-1,3-DIOXAN-4-YL]ACETIC ACID DERIVATIVES | KANEKA CORPORATION (JP) | 2003-03-05 | — | — | EP | disclosed |
| US-6407268-B1 | HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 2002-06-18 | — | — | US | disclosed |
| US-6140272-A | HERBICIDES; PREPARING BY ACYLATING A 1,3-SUBSTITUTED-5-HYDROXY-PYRAZOLE WITH AN ACTIVATED BENZOIC ACID DERIVATIVE AND REARRANGING THE ACYLATION PRODUCT, AND OPTIONALLY FURTHER REACTING | BASF AKTIENGESELLSCHAFT (DE) | 2000-10-31 | — | — | US | disclosed |
| US-6140273-A | HERBICIDES; MADE BY REACTING A CYCLOHEXANE-1,3-DIONE WITH AN ACTIVATED BENZOIC ACID OR BENZOIC ACID COMPOUND, TO GIVE AN ACYLATION PRODUCT, AND SUBSEQUENT REARRANGEMENT | BASF AKTIENGESELLSCHAFT (DE) | 2000-10-31 | — | — | US | disclosed |
| US-5626733-A | Process for the preparation of keto compounds | HUELS AKTIENEGSELLSCHAFT (DE) | 1997-05-06 | — | — | US | disclosed |