⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL811571 | 0.89 | ORAI1 (0.34) | — | |
| SCHEMBL4907271 | 0.76 | ORAI1 (0.40) | — | |
| SCHEMBL15415315 | 0.72 | — | — | |
| SCHEMBL5392162 | 0.65 | ORAI1 (0.38) | — | |
| Hydrochloric Acid SCHEMBL11019499 | 0.64 | ORAI1 (0.32) | — | |
| SCHEMBL15282149 | 0.63 | CYP1A2 (0.35) | — | |
| SCHEMBL4893829 | 0.63 | CYP1A2 (0.35) | — | |
| SCHEMBL9699016 | 0.60 | ORAI1 (0.38) | — | |
| SCHEMBL28147221 | 0.60 | ORAI1 (0.38) | — | |
| SCHEMBL5585874 | 0.60 | POLB (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0993448-A1 | (AMIDINO)6-MEMBERED AROMATICS AS FACTOR Xa INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 2000-04-19 | — | — | EP | disclosed |
| WO-1998057934-A1 | (AMIDINO)6-MEMBERED AROMATICS AS FACTOR Xa INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-12-23 | — | — | WO | disclosed |