Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL16950125 | 0.94 | — | — | |
| SCHEMBL770898 | 0.67 | POLB (0.44) | — | |
| SCHEMBL134132 | 0.67 | — | — | |
| Bromide SCHEMBL545275 | 0.67 | — | — | |
| SCHEMBL13603000 | 0.63 | — | — | |
| SCHEMBL1425534 | 0.63 | — | — | |
| SCHEMBL7124255 | 0.63 | — | — | |
| SCHEMBL20793009 | 0.63 | — | — | |
| SCHEMBL21737602 | 0.63 | — | — | |
| SCHEMBL2465395 | 0.63 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210367159-A1 | ORGANIC SEMICONDUCTING COMPOUNDS | RAYNERGY TEK INC (TW) | 2021-11-25 | — | — | US | disclosed |
| CN-112955456-A | Organic semiconductor compound | 天光材料科技股份有限公司 | 2021-06-11 | — | — | CN | disclosed |
| CN-102159618-B | Polymers derived from benzobis (silolothiophenes) and their use as organic semiconductors | MERCK PATENT GMBH | 2014-11-12 | — | — | CN | disclosed |
| US-8709290-B2 | Polymers derived from benzobis(silolothiophene) and their use as organic semiconductors | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2014-04-29 | — | — | US | disclosed |
| EP-2459614-B1 | POLYMERS DERIVED FROM BENZOBIS(SILOLOTHIOPHENE) AND THEIR USE AS ORGANIC SEMICONDUCTORS | MERCK PATENT GMBH (DE) | 2013-06-12 | — | — | EP | disclosed |
| EP-2459614-A1 | POLYMERS DERIVED FROM BENZOBIS(SILOLOTHIOPHENE) AND THEIR USE AS ORGANIC SEMICONDUCTORS | Merck Patent GmbH (DE) | 2012-06-06 | — | — | EP | disclosed |
| CN-102159618-A | Polymers derived from benzobis (silolothiophenes) and their use as organic semiconductors | MERCK PATENT GMBH | 2011-08-17 | — | — | CN | disclosed |
| US-20110168953-A1 | Polymers Derived from Benzobis(silolothiophene) and their Use as Organic Semiconductors | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2011-07-14 | — | — | US | disclosed |
| WO-2010031480-A1 | POLYMERS DERIVED FROM BENZOBIS(SILOLOTHIOPHENE) AND THEIR USE AS ORGANIC SEMICONDUCTORS | MERCK PATENT GMBH (DE) | 2010-03-25 | — | — | WO | disclosed |