⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6725159 | 0.92 | — | — | |
| SCHEMBL6728998 | 0.81 | — | — | |
| SCHEMBL9407 | 0.77 | — | — | |
| SCHEMBL15124812 | 0.77 | — | — | |
| SCHEMBL3104532 | 0.77 | — | — | |
| SCHEMBL20293445 | 0.75 | HSD17B10 (1.00) | — | |
| SCHEMBL9451456 | 0.75 | — | — | |
| SCHEMBL740489 | 0.75 | HSD17B10 (1.00) | — | |
| SCHEMBL15124720 | 0.75 | CYP1A2 (0.67) | — | |
| SCHEMBL4235132 | 0.75 | CYP1A2 (0.67) | — |
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-20040097728-A1 | Method for producing anellated tetrahydro-{1h}-triazoles | BASF AKTIENGESELLSCHAFT (DE) | 2004-05-20 | — | — | US | disclosed |
| US-6737544-B1 | HEATING ABOVE MELTING POINT | BASF AKTIENGESELLSCHAFT (DE) | 2004-05-18 | — | — | US | disclosed |
| US-6150303-A | Substituted 3-phenylisoxazolines | BASF AKTIENGESELLSCHAFT (DE) | 2000-11-21 | — | — | US | disclosed |