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 | |
|---|---|---|---|---|
| SCHEMBL16706957 | 0.97 | — | — | |
| SCHEMBL15904592 | 0.97 | — | — | |
| SCHEMBL28031449 | 0.78 | — | — | |
| Bromide SCHEMBL11267252 | 0.74 | — | — | |
| Bromide SCHEMBL11267245 | 0.74 | — | — | |
| SCHEMBL2736332 | 0.73 | — | — | |
| SCHEMBL2611056 | 0.73 | — | — | |
| SCHEMBL727473 | 0.73 | — | — | |
| SCHEMBL22746947 | 0.73 | — | — | |
| SCHEMBL2783019 | 0.73 | — | — |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2208726-B1 | Cyclic amide derivatives, and their production and use as antithrombotic agents | TAKEDA PHARMACEUTICAL (JP) | 2014-08-20 | — | — | EP | disclosed |
| US-8697865-B2 | Cyclic amide derivative, and its production and use | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2014-04-15 | — | — | US | disclosed |
| EP-2208726-A1 | Cyclic amide derivatives, and their production and use as antithrombotic agents | Takeda Pharmaceutical Company Limited (JP) | 2010-07-21 | — | — | EP | disclosed |
| US-7745623-B2 | 1'-{(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoyl}-1,4'-bipiperidin-2-one or salts, useful as a drug for treating thrombosis | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-06-29 | — | — | US | disclosed |
| US-20100160629-A1 | CYCLIC AMIDE DERIVATIVE, AND ITS PRODUCTION AND USE | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-06-24 | — | — | US | disclosed |
| CN-101041637-B | Chiral amine protonic acid salt containing imidazole sulfur ether structure and preparation method and usage thereof | UNIV ZHEJIANG TECHNOLOGY | 2010-06-09 | — | — | CN | disclosed |
| CN-101041638-B | Chirality amine containing imidazole sulfur ether structure and preparation method and usage thereof | UNIV ZHEJIANG TECHNOLOGY | 2010-05-26 | — | — | CN | disclosed |
| US-20080255362-A1 | 1'-{(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoyl}-1,4'-bipiperidin-2-one or salts, useful as a drug for treating thrombosis | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-10-16 | — | — | US | disclosed |
| US-20080255352-A1 | 1'-{(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoyl}-1,4'-bipiperidin-2-one or salts, useful as a drug for treating thrombosis | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-10-16 | — | — | US | disclosed |
| CN-100360480-C | Amino group-containing chiral ionic liquid and its prepn process and application | UNIV ZHEJIANG POLYTECHNIC (CN) | 2008-01-09 | — | — | CN | disclosed |
| US-20070244118-A1 | 1'-{(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoyl}-1,4'-bipiperidin-2-one or salts, useful as a drug for treating thrombosis | TAKEDA PHARMACEUTICAL COMPANY (JP) | 2007-10-18 | — | — | US | disclosed |
| CN-101041637-A | Chirality amine protonic acid salt containing imidazole sulfur ether structure and preparation method and usage thereof | UNIV ZHEJIANG TECHNOLOGY (CN) | 2007-09-26 | — | — | CN | disclosed |
| CN-101041638-A | Chirality amine containing imidazole sulfur ether structure and preparation method and usage thereof | UNIV ZHEJIANG TECHNOLOGY (CN) | 2007-09-26 | — | — | CN | disclosed |
| EP-1748985-A1 | CYCLIC AMIDE DERIVATIVES, AND THEIR PRODUCTION AND USE AS ANTITHROMBOTIC AGENTS | Takeda Pharmaceutical Company Limited (JP) | 2007-02-07 | — | — | EP | disclosed |
| CN-1847201-A | Amino group-containing chiral ionic liquid and its prepn process and application | UNIV ZHEJIANG POLYTECHNIC (CN) | 2006-10-18 | — | — | CN | disclosed |
| WO-2005113504-A1 | CYCLIC AMIDE DERIVATIVES, AND THEIR PRODUCTION AND USE AS ANTITHROMBOTIC AGENTS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2005-12-01 | — | — | WO | disclosed |
| US-4399151-A | USING A-SUBSTITUTERD AMINES OR A-SUBSTITUTED AMINO ACIDS | MERRELL DOW PHARMACEUTICALS INC. (US) | 1983-08-16 | — | — | US | disclosed |
| US-4336054-A | AMINO ACIDS | MERRELL DOW PHARMACEUTICALS INC. (US) | 1982-06-22 | — | — | US | disclosed |