⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7403444 | 0.78 | ITGB3 (0.39) | — | |
| SCHEMBL7333487 | 0.59 | PTGS2 (0.40) | — | |
| SCHEMBL17660251 | 0.58 | ELANE (0.41) | — | |
| SCHEMBL20644587 | 0.57 | MGLL (0.46) | — | |
| SCHEMBL7333009 | 0.56 | ELANE (0.44) | — | |
| SCHEMBL15512208 | 0.56 | CYP26A1 (0.33) | — | |
| SCHEMBL19468954 | 0.55 | USP5 (0.31) | — | |
| SCHEMBL15312888 | 0.54 | LMNA (0.40) | — | |
| SCHEMBL4600810 | 0.54 | HSD17B10 (0.37) | — | |
| SCHEMBL316573 | 0.54 | LMNA (0.51) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0715623-B1 | PLATELET AGGREGATION INHIBITORS | SEARLE & CO (US) | 1998-09-09 | — | — | EP | disclosed |
| EP-0715623-A1 | PLATELET AGGREGATION INHIBITORS | G.D. SEARLE & CO. (US) | 1996-06-12 | — | — | EP | disclosed |
| US-5489594-A | ANTICOAGULANTS | G. D. SEARLE & CO. (US) | 1996-02-06 | — | — | US | disclosed |
| US-5430043-A | Platelet aggregation inhibitors | G. D. SEARLE & CO. (US) | 1995-07-04 | — | — | US | disclosed |