⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1106403 | 0.80 | CA12 (0.35) | — | |
| SCHEMBL1106402 | 0.79 | — | — | |
| SCHEMBL21477707 | 0.78 | USP2 (0.30) | — | |
| SCHEMBL19287645 | 0.75 | CA12 (0.39) | — | |
| SCHEMBL1106398 | 0.75 | PIK3CD (0.43) | — | |
| SCHEMBL20232697 | 0.72 | NOS3 (0.43) | — | |
| SCHEMBL8278989 | 0.70 | — | — | |
| SCHEMBL27065888 | 0.70 | — | — | |
| SCHEMBL25952309 | 0.70 | — | — | |
| SCHEMBL2293885 | 0.70 | MLYCD (0.37) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3684762-B1 | COUMARIN DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND USES THEREOF FOR THE TREATMENT OF CANCER | LEAD DISCOVERY CENTER GMBH (DE) | 2023-05-03 | — | — | EP | 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-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 |
| WO-2006002099-A2 | FACTOR XA INHIBITORS | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2006-01-05 | — | — | WO | disclosed |