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 | |
|---|---|---|---|---|
| Bromide SCHEMBL10876007 | 1.00 | — | — | |
| SCHEMBL27879484 | 0.95 | — | — | |
| SCHEMBL28184335 | 0.95 | — | — | |
| SCHEMBL22434925 | 0.95 | — | — | |
| SCHEMBL29868053 | 0.95 | — | — | |
| SCHEMBL22993 | 0.95 | — | — | |
| SCHEMBL30808383 | 0.95 | — | — | |
| SCHEMBL18458273 | 0.95 | — | — | |
| Iodide SCHEMBL8624442 | 0.90 | — | — | |
| Ammonia Solution, Strong SCHEMBL22117290 | 0.90 | — | — |
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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111574458-B | Synthetic method of ergothioneine | 上海克琴科技有限公司 | 2023-04-07 | — | — | CN | claimed |
| CN-108026032-A | The manufacture method of optical activity 4- carbamoyl -2,6- 3,5-dimethylphenyl alanine derivatives | 株式会社钟化 | 2018-05-11 | — | — | CN | claimed |
| CN-106164044-B | Process for producing 1-arylimino-2-vinylcyclopropanecarboxylic acid derivative | 株式会社钟化 | 2018-05-04 | — | — | CN | claimed |
| CN-106164044-A | Process for producing 1-arylimino-2-vinylcyclopropanecarboxylic acid derivative | 株式会社钟化 | 2016-11-23 | — | — | CN | claimed |
| CN-112969504-B | Compounds for inhibiting alpha 4 beta 7 integrin | 吉利德科学公司 | 2024-04-09 | — | — | CN | disclosed |
| CN-111574458-B | Synthetic method of ergothioneine | 上海克琴科技有限公司 | 2023-04-07 | — | — | CN | disclosed |
| CN-107848963-B | Acid-resistant alkali-producing agent and/or radical-producing agent, and curable resin composition containing same | 富士胶片和光纯药株式会社 | 2020-11-03 | — | — | CN | disclosed |
| CN-108026032-A | The manufacture method of optical activity 4- carbamoyl -2,6- 3,5-dimethylphenyl alanine derivatives | 株式会社钟化 | 2018-05-11 | — | — | CN | disclosed |
| CN-107849018-A | Bridged piperazine derivatives | 安斯泰来制药株式会社 | 2018-03-27 | — | — | CN | disclosed |
| CN-105403603-B | A kind of preparation method and applications of optical electro-chemistry aptamers sensing electrode | 江苏大学 | 2018-02-27 | — | — | CN | disclosed |
| CN-105073715-B | The derovatives of dihydrogen dazin 3,5 | 中外制药株式会社 | 2017-12-01 | — | — | CN | disclosed |
| EP-2788086-B1 | SUBSTITUTED PYRAZOLES AS MGLU5 RECEPTOR MODULATORS | BOEHRINGER INGELHEIM INT (DE) | 2016-10-12 | — | — | EP | disclosed |
| EP-2791117-B1 | 4-ARYL IMIDAZOLE DERIVATIVES AS MGLU5 POSITIVE ALLESTERIC MODULATORS | BOEHRINGER INGELHEIM INT (DE) | 2016-03-16 | — | — | EP | disclosed |
| EP-2791117-A1 | 4-ARYL IMIDAZOLE DERIVATIVES AS MGLU5 POSITIVE ALLESTERIC MODULATORS | Boehringer Ingelheim International GmbH (DE) | 2014-10-22 | — | — | EP | disclosed |
| EP-2788086-A1 | SUBSTITUTED PYRAZOLES AS MGLU5 RECEPTOR MODULATORS | Boehringer Ingelheim International GmbH (DE) | 2014-10-15 | — | — | EP | disclosed |
| EP-2788333-A1 | 1,2,4 -TRIAZOLES AS ALLOSTERIC MODULATORS OF MGLU5 RECEPTOR ACTIVITY FOR THE TREATMENT OF SCHIZOPHRENIA OF DEMENTIA | Boehringer Ingelheim International GmbH (DE) | 2014-10-15 | — | — | EP | disclosed |
| WO-2013087807-A1 | 4-ARYL IMIDAZOLE DERIVATIVES AS MGLU5 POSITIVE ALLESTERIC MODIULATORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-06-20 | — | — | WO | disclosed |
| WO-2013083591-A1 | SUBSTITUTED PYRAZOLES AS MGLU5 RECEPTOR MODULATORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-06-13 | — | — | WO | disclosed |
| WO-2013083741-A1 | 1,2,4 -TRIAZOLES AS ALLOSTERIC MODULATORS OF MGLU5 RECEPTOR ACTIVITY FOR THE TREATMENT OF SCHIZOPHRENIA OF DEMENTIA | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-06-13 | — | — | WO | disclosed |
| WO-1996004271-A1 | CONDENSED AZEPINE DERIVATIVES, DRUGS CONTAINING THESE COMPOUNDS AND METHODS FOR PREPARING THEM | DR. KARL THOMAE GMBH (DE) | 1996-02-15 | — | — | WO | disclosed |