⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8555731 | 0.76 | — | — | |
| SCHEMBL3148442 | 0.76 | — | — | |
| SCHEMBL5537146 | 0.74 | KDM4E (0.34) | — | |
| SCHEMBL17547305 | 0.73 | — | — | |
| SCHEMBL10350066 | 0.73 | — | — | |
| SCHEMBL9505628 | 0.72 | SMN1; SMN2 (0.53) | — | |
| SCHEMBL3282005 | 0.68 | ALDH1A1 (0.39) | — | |
| SCHEMBL9827215 | 0.68 | SMN1; SMN2 (0.41) | — | |
| SCHEMBL11250832 | 0.68 | SMN1; SMN2 (0.46) | — | |
| SCHEMBL8577487 | 0.68 | MYC (0.36) | — |
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-5260446-A | Azo dye precursors | BASF AKTIENGESELLSCHAFT (DE) | 1993-11-09 | — | — | US | disclosed |
| EP-0433879-A2 | Aminothiazoles | BASF Aktiengesellschaft (DE) | 1991-06-26 | — | — | EP | disclosed |
| US-4242495-A | COATINGS, MOLDINGS, FOAMS | THE FIRESTONE TIRE & RUBBER COMPANY (US) | 1980-12-30 | — | — | US | disclosed |