⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5763490 | 0.77 | — | — | |
| SCHEMBL1196519 | 0.75 | — | — | |
| SCHEMBL1521854 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL355027 | 0.73 | — | — | |
| SCHEMBL8988200 | 0.72 | — | — | |
| SCHEMBL24345830 | 0.71 | — | — | |
| SCHEMBL5545389 | 0.71 | — | — | |
| SCHEMBL14336041 | 0.71 | — | — | |
| SCHEMBL5004859 | 0.70 | — | — | |
| SCHEMBL2091155 | 0.70 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015158605-A1 | HETARYL SUBSTITUTED MALONONITRILE COMPOUNDS | BASF SE (DE) | 2015-10-22 | — | — | WO | disclosed |
| US-8604056-B2 | Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor XIa inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-12-10 | — | — | US | disclosed |
| US-20120270853-A1 | ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2012-10-25 | — | — | US | disclosed |
| US-8252830-B2 | Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor XIa inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-08-28 | — | — | US | disclosed |
| EP-1981854-B1 | ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2011-06-01 | — | — | EP | disclosed |
| US-20110028446-A1 | ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2011-02-03 | — | — | US | disclosed |
| US-7842708-B2 | Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor XIa inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-11-30 | — | — | US | disclosed |
| US-20100022506-A1 | ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2010-01-28 | — | — | US | disclosed |
| US-7626039-B2 | Arylpropionamide, arylacrylamide, ayrlpropynamide, or arylmethylurea analogs as factor XIa inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-12-01 | — | — | US | disclosed |
| EP-1981854-A1 | ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS | Brystol-Myers Squibb Company (US) | 2008-10-22 | — | — | EP | disclosed |
| US-20080161373-A1 | ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB CO. | 2008-07-03 | — | — | US | disclosed |
| WO-2007070826-A1 | ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-06-21 | — | — | WO | disclosed |
| EP-0008361-A1 | Halogen-substituted thiophene derivatives and method for their preparation | BASF Aktiengesellschaft (DE) | 1980-03-05 | — | — | EP | disclosed |