⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8297627 | 0.84 | — | — | |
| SCHEMBL1811646 | 0.75 | — | — | |
| Bicarbonate SCHEMBL2561130 | 0.71 | DPP4 (0.43) | — | |
| SCHEMBL7770099 | 0.70 | — | — | |
| SCHEMBL11219559 | 0.69 | DPP4 (0.48) | — | |
| SCHEMBL10233935 | 0.69 | DPP4 (0.41) | — | |
| SCHEMBL8164590 | 0.68 | — | — | |
| SCHEMBL11614103 | 0.67 | — | — | |
| SCHEMBL19027681 | 0.65 | — | — | |
| SCHEMBL11339373 | 0.65 | DPP4 (0.42) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7312235-B2 | Benzamide inhibitors of factor Xa | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2007-12-25 | — | — | US | disclosed |
| US-7312235-B2 | Benzamide inhibitors of factor Xa | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2007-12-25 | — | — | US | disclosed |