⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3815495 | 0.73 | CYP3A4 (0.33) | — | |
| SCHEMBL4047571 | 0.73 | — | — | |
| SCHEMBL8415962 | 0.71 | TSHR (0.38) | — | |
| SCHEMBL11127556 | 0.70 | — | — | |
| SCHEMBL4580604 | 0.68 | — | — | |
| SCHEMBL243441 | 0.67 | NPSR1 (0.46) | — | |
| SCHEMBL7344565 | 0.66 | TSHR (0.33) | — | |
| SCHEMBL7337382 | 0.66 | TSHR (0.33) | — | |
| SCHEMBL11035982 | 0.65 | — | — | |
| SCHEMBL7547696 | 0.65 | NPSR1 (0.47) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5880284-A | HAVING ANTITHROMBOTIC, ANTIAGGREGATORY AND TUMOR- OR METASTASES-INHIBITING EFFECTS | DR. KARL THOMAE GMBH (DE) | 1999-03-09 | — | — | US | disclosed |
| US-5827849-A | HAVING INHIBITORY EFFECT ON INFLAMMATION AND BONE DEGRADATION, ANTITHROMBOTIC, ANTIAGGREGATORY AND TUMOR- OR METASTASIS-INHIBITING EFFECT | KARL THOMAE GMBH (DE) | 1998-10-27 | — | — | US | disclosed |
| US-5681841-A | PREVENTION CELL AGGREGATION | KARL THOMAE GMBH (DE) | 1997-10-28 | — | — | US | disclosed |