SCHEMBL614501

SCHEMBL614501

C=CC[C@H](N[S+]([O-])C(C)(C)C)c1cc(Cl)ccn1

nearest known ligand 0.00

⚠ 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL29590323 1.00
SCHEMBL16971797 1.00
SCHEMBL30271786 1.00
SCHEMBL30271863 1.00
SCHEMBL16971799 1.00
SCHEMBL16971556 1.00
SCHEMBL23403912 1.00
SCHEMBL28360195 1.00
SCHEMBL614502 1.00
SCHEMBL19474467 0.88

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 101 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12428421-B2 Pyrimidinones as factor XIA inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2025-09-30 US disclosed
US-12404274-B2 Macrocycles as factor xia inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2025-09-02 US disclosed
EP-4286372-A2 PYRIMIDINONES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2023-12-06 EP disclosed
CN-116987080-A Macrocyclic compounds with heterocyclic P2' groups as factor XIA inhibitors 百时美施贵宝公司 2023-11-03 CN disclosed
EP-3828186-B1 PYRIMIDINONES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-08-23 EP disclosed
CN-107973809-B Macrocyclic compounds as factor XIA inhibitors 百时美施贵宝公司 2023-06-30 CN disclosed
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2023-02-23 US disclosed
CN-110845498-B Macrocyclic compounds having heterocyclic P2' groups as factor XIA inhibitors 百时美施贵宝公司 2023-02-17 CN disclosed
EP-3988549-A1 MACROCYCLES WITH HETEROCYCLIC P2' GROUPS AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2022-04-27 EP disclosed
US-11136327-B2 Macrocycles as factor XIA inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-10-05 US disclosed
EP-2739628-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2014-06-11 EP disclosed
US-20140038969-A1 DIHYDROPYRIDONE P1 AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2014-02-06 US disclosed
WO-2014022767-A1 DIHYDROPYRIDONE P1 AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-02-06 WO disclosed
WO-2014022767-A1 DIHYDROPYRIDONE P1 AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-02-06 WO disclosed
WO-2014022766-A1 DIHYDROPYRIDONE P1 AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-02-06 WO disclosed
WO-2013022818-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-14 WO disclosed
WO-2013022814-A1 CYCLIC P1 LINKERS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-14 WO disclosed
EP-2534154-A1 MACROCYCLES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2012-12-19 EP disclosed
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-02-16 US disclosed
WO-2011100401-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-18 WO disclosed