⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3566488 | 0.91 | MDM2 (0.31) | — | |
| SCHEMBL3560346 | 0.90 | MEN1 (0.33) | — | |
| SCHEMBL3573280 | 0.89 | CNR2 (0.32) | — | |
| SCHEMBL3564557 | 0.89 | — | — | |
| SCHEMBL3564974 | 0.88 | LPAR1 (0.34) | — | |
| SCHEMBL3559263 | 0.87 | ALDH1A1 (0.35) | — | |
| SCHEMBL3567221 | 0.84 | NPSR1 (0.30) | — | |
| SCHEMBL3570280 | 0.84 | MEN1 (0.32) | — | |
| SCHEMBL3567162 | 0.82 | MAPT (0.38) | — | |
| SCHEMBL3570078 | 0.76 | TRPM8 (0.34) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7678913-B2 | Ureas as factor Xa inhibitors | PORTOLA PHARMACEUTICALS, INC. (US) | 2010-03-16 | — | — | US | claimed |
| US-20060160821-A1 | Ureas as factor Xa inhibitors | PORTOLA PHARMACEUTICALS, INC. (US) | 2006-07-20 | — | — | US | claimed |
| US-7678913-B2 | Ureas as factor Xa inhibitors | PORTOLA PHARMACEUTICALS, INC. (US) | 2010-03-16 | — | — | US | disclosed |
| US-20060160821-A1 | Ureas as factor Xa inhibitors | PORTOLA PHARMACEUTICALS, INC. (US) | 2006-07-20 | — | — | US | disclosed |
| WO-2006063113-A2 | UREAS AS FACTOR XA INHIBITORS | PORTOLA PHARMACEUTICALS, INC. (US) | 2006-06-15 | — | — | WO | disclosed |