⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1106399 | 0.89 | CYP1A2 (0.42) | — | |
| SCHEMBL1106410 | 0.88 | F2 (0.42) | — | |
| SCHEMBL1106404 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL17472551 | 0.86 | F2 (0.40) | — | |
| Hydrochloric Acid SCHEMBL28628605 | 0.86 | F2 (0.40) | — | |
| SCHEMBL1106418 | 0.86 | F2 (0.46) | — | |
| SCHEMBL1106611 | 0.85 | PIK3CD (0.32) | — | |
| Hydrochloric Acid SCHEMBL28661283 | 0.84 | F2 (0.39) | — | |
| SCHEMBL1106406 | 0.82 | CA2 (0.38) | — | |
| SCHEMBL1106416 | 0.82 | SMN1; SMN2 (0.44) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8691847-B2 | Benzamides and related inhibitors of factor Xa | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2014-04-08 | — | — | US | disclosed |