⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1106410 | 0.94 | F2 (0.42) | — | |
| SCHEMBL1106418 | 0.92 | F2 (0.46) | — | |
| Hydrochloric Acid SCHEMBL17472551 | 0.92 | F2 (0.40) | — | |
| Hydrochloric Acid SCHEMBL28628605 | 0.92 | F2 (0.40) | — | |
| Hydrochloric Acid SCHEMBL28661283 | 0.90 | F2 (0.39) | — | |
| SCHEMBL16477891 | 0.88 | — | — | |
| SCHEMBL1106399 | 0.79 | CYP1A2 (0.42) | — | |
| SCHEMBL1106406 | 0.77 | CA2 (0.38) | — | |
| SCHEMBL1106416 | 0.77 | SMN1; SMN2 (0.44) | — | |
| SCHEMBL10281997 | 0.75 | ALDH1A1 (0.48) | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170107202-A1 | COMPOUNDS USEFUL AS IMMUNOMODULATORS | BRISTOL-MYERS SQUIBB COMPANY | 2017-04-20 | — | — | US | disclosed |
| US-8691847-B2 | Benzamides and related inhibitors of factor Xa | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2014-04-08 | — | — | US | disclosed |
| US-8377974-B2 | Factor Xa inhibitors | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2013-02-19 | — | — | US | disclosed |
| US-8377974-B2 | Factor Xa inhibitors | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2013-02-19 | — | — | US | disclosed |
| US-20120178733-A1 | FACTOR XA INHIBITORS | MILLENNIUM PHARMACEUTICALS, INC. | 2012-07-12 | — | — | US | disclosed |
| US-20120178733-A1 | FACTOR XA INHIBITORS | MILLENNIUM PHARMACEUTICALS, INC. | 2012-07-12 | — | — | US | disclosed |
| US-8153670-B2 | Factor Xa inhibitors | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2012-04-10 | — | — | US | disclosed |
| US-8153670-B2 | Factor Xa inhibitors | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2012-04-10 | — | — | US | disclosed |
| US-20100234352-A1 | FACTOR XA INHIBITORS | MILLENNIUM PHARMACEUTICALS, INC. | 2010-09-16 | — | — | US | disclosed |
| US-7696352-B2 | Factor Xa inhibitors | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2010-04-13 | — | — | US | disclosed |
| US-7678913-B2 | Ureas as factor Xa inhibitors | PORTOLA PHARMACEUTICALS, INC. (US) | 2010-03-16 | — | — | US | disclosed |
| US-20090298806-A1 | FACTOR XA INHIBITORS | MILLENNIUM PHARMACEUTICALS, INC. | 2009-12-03 | — | — | US | disclosed |
| US-20090298806-A1 | FACTOR XA INHIBITORS | MILLENNIUM PHARMACEUTICALS, INC. | 2009-12-03 | — | — | US | disclosed |
| US-7521470-B2 | Factor Xa inhibitors | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2009-04-21 | — | — | US | disclosed |
| US-7521470-B2 | Factor Xa inhibitors | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2009-04-21 | — | — | US | disclosed |
| US-20070185092-A1 | FACTOR Xa INHIBITORS | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2007-08-09 | — | — | US | disclosed |
| WO-2006002099-A2 | FACTOR XA INHIBITORS | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2006-01-05 | — | — | WO | disclosed |