⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1661734 | 0.83 | TAAR1 (0.48) | — | |
| SCHEMBL147803 | 0.77 | — | — | |
| SCHEMBL21194005 | 0.77 | — | — | |
| SCHEMBL61982 | 0.77 | — | — | |
| SCHEMBL28873199 | 0.75 | LOXL2 (0.33) | — | |
| SCHEMBL921205 | 0.74 | CNR1 (0.39) | — | |
| SCHEMBL4119633 | 0.74 | — | — | |
| SCHEMBL1662135 | 0.74 | KDM4E (0.42) | — | |
| SCHEMBL14935619 | 0.73 | — | — | |
| SCHEMBL14935565 | 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 194 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101686989-B | Substituted imidazoheterocycles | 卡拉治疗学股份有限公司 | 2016-10-19 | — | — | CN | claimed |
| EP-1841504-B1 | SUBSTITUTED BIARYL COMPOUNDS AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2014-11-19 | — | — | EP | claimed |
| US-8466295-B2 | Thiophene derivatives as factor XIa inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-06-18 | — | — | US | claimed |
| CN-101687879-B | 5-furopyridinone substituted indazoles | ALBANY MOLECULAR RES INC | 2013-01-02 | — | — | CN | claimed |
| CN-101312977-B | Fused heterocyclic compounds useful as kinase modulators | BRISTOL MYERS SQUIBB CO | 2012-06-13 | — | — | CN | claimed |
| US-8163749-B2 | Six-membered heterocycles useful as serine protease inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-04-24 | — | — | US | 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 |
| US-20060154915-A1 | Substituted biaryl compounds as factor XIa inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2006-07-13 | — | — | US | claimed |
| WO-2006027346-A2 | NOVEL PYRAZOLOPYRIMIDINES | ALTANA PHARMA AG (DE) | 2006-03-16 | — | — | WO | 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-1213658-C | Pyridinecarboxamide derivative and pest control agent containing same as active ingredient | MEIJI SEIKA KAISHA (JP) | 2005-08-10 | — | — | CN | claimed |
| CN-1503672-A | 6-substituted pyridopyrimidines | - | 2004-06-09 | — | — | CN | claimed |
| CN-1116286-C | 4-anilinoquinazoline derivatives | ZENECA LTD (GB) | 2003-07-30 | — | — | CN | claimed |
| CN-1387527-A | Quinazoline derivatives as VEGF inhibitors | ASTRAZENECA AB (SE) | 2002-12-25 | — | — | CN | claimed |
| CN-1329596-A | Pyridinecarboxamide derivative and pest control agent containing same as active ingredient | MEIJI SEIKA KAISHA (JP) | 2002-01-02 | — | — | CN | claimed |
| CN-1212684-A | 4-anilinoquinazoline derivatives | ZENECA LTD (GB) | 1999-03-31 | — | — | CN | claimed |