⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28668873 | 0.79 | — | — | |
| SCHEMBL27453494 | 0.77 | — | — | |
| SCHEMBL1968232 | 0.77 | — | — | |
| SCHEMBL455634 | 0.77 | — | — | |
| SCHEMBL27731808 | 0.77 | — | — | |
| SCHEMBL4064007 | 0.74 | — | — | |
| SCHEMBL156993 | 0.74 | PNMT (0.39) | — | |
| SCHEMBL105233 | 0.74 | TAAR1 (0.31) | — | |
| SCHEMBL28771057 | 0.74 | PNMT (0.43) | — | |
| SCHEMBL27899130 | 0.74 | TDP1 (0.33) | — |
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 92 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1841504-B1 | SUBSTITUTED BIARYL COMPOUNDS AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2014-11-19 | — | — | EP | claimed |
| CN-102292321-A | Pyrazolyl-substituted carbonic acid derivatives as modulators of the prostacyclin (PGI2) receptor for the treatment of receptor-related disorders | — | 2011-12-21 | — | — | CN | claimed |
| JP-4834663-B2 | — | — | 2011-12-14 | — | — | JP | claimed |
| EP-1773775-B1 | SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2011-08-17 | — | — | EP | claimed |
| CN-102149689-A | Substituted 1-benzyl-cinnolin-4 (1H) -one derivatives, preparation thereof and therapeutic use thereof | SANOFI AVENTIS | 2011-08-10 | — | — | CN | claimed |
| CN-101287734-B | 2-amino-7, 8-dihydro-6H-pyrido [4,3-d ] pyrimidin-5-ones | NOVARTIS AG | 2011-07-20 | — | — | CN | claimed |
| CN-101983191-A | Oxim derivatives as hsp90 inhibitors | TAKEDA PHARMACEUTICAL | 2011-03-02 | — | — | CN | claimed |
| CN-101595097-A | Pyridazine derivatives, process for their preparation and their use as fungicides | SYNGENTA PARTICIPATIONS AG (CH) | 2009-12-02 | — | — | CN | claimed |
| CN-101541763-A | Novel pyridazine derivatives | SYNGENTA PARTICIPATIONS AG (CH) | 2009-09-23 | — | — | CN | claimed |
| CN-101535275-A | Pyridazine derivatives | SYNGENTA PARTICIPATIONS AG (CH) | 2009-09-16 | — | — | CN | claimed |
| US-7429604-B2 | Six-membered heterocycles useful as serine protease inhibitors | BRISTOL MYERS SQUIBB COMPANY (US) | 2008-09-30 | — | — | US | claimed |
| CN-101198596-A | 2-amino-quinaz0lin-5-ones as HSP90 inhibitors useful in treating proliferation diseases | NOVARTIS VACCINES & DIAGNOSTIC (US) | 2008-06-11 | — | — | CN | claimed |
| JP-2008502692-A | — | — | 2008-01-31 | — | — | JP | claimed |
| EP-1841504-A2 | SUBSTITUTED BIARYL COMPOUNDS AS FACTOR XIA INHIBITORS | Brystol-Myers Squibb Company (US) | 2007-10-10 | — | — | EP | claimed |
| EP-1773775-A1 | SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS | Bristol-Myers Squibb Company (US) | 2007-04-18 | — | — | EP | claimed |
| WO-2006076575-A2 | SUBSTITUTED BIARYL COMPOUNDS AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-07-20 | — | — | WO | claimed |
| US-20060154915-A1 | Substituted biaryl compounds as factor XIa inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2006-07-13 | — | — | US | claimed |
| US-20060009455-A1 | especially blood coagulation factor XIa and plasma kallikrein; e.g. 4-aminomethyl-[2-phenyl-1-(4-phenyl-pyridin-2-yl)-ethyl]-trans cyclohexanecarboxamide; anticoagulant, antiinflammatory agent; | BRISTOL-MYERS SQUIBB COMPANY | 2006-01-12 | — | — | US | claimed |
| WO-2005123680-A1 | SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-12-29 | — | — | WO | claimed |
| CN-1062527-A | The selectively acylating effect of hydrazine | ROHM & HAAS (US) | 1992-07-08 | — | — | CN | claimed |