⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8325544 | 0.97 | NOS3 (0.42) | — | |
| Hydrochloric Acid SCHEMBL8328358 | 0.95 | NOS3 (0.46) | — | |
| SCHEMBL611544 | 0.92 | — | — | |
| Ammonia Solution, Strong SCHEMBL28070634 | 0.89 | — | — | |
| SCHEMBL10143696 | 0.80 | NOS3 (0.36) | — | |
| SCHEMBL11018694 | 0.77 | NOS3 (0.46) | — | |
| SCHEMBL8145912 | 0.72 | — | — | |
| SCHEMBL16253589 | 0.69 | CYP2D6 (0.35) | — | |
| SCHEMBL16253588 | 0.68 | CYP2D6 (0.38) | — | |
| SCHEMBL10881284 | 0.67 | CYP2D6 (0.38) | — |
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-10179124-B2 | Benzamides and related inhibitors of factor Xa | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2019-01-15 | — | — | US | disclosed |
| US-20180036296-A1 | BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA | COR THERAPEUTICS, INC. | 2018-02-08 | — | — | US | disclosed |
| US-20180036296-A1 | BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA | COR THERAPEUTICS, INC. | 2018-02-08 | — | — | US | disclosed |
| US-20040116399-A1 | Inhibitors of factor Xa | MILLENNIUM PHARMACEUTICALS, INC. | 2004-06-17 | — | — | US | disclosed |
| US-20040116399-A1 | Inhibitors of factor Xa | MILLENNIUM PHARMACEUTICALS, INC. | 2004-06-17 | — | — | US | disclosed |