⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3092895 | 0.75 | TRPA1 (0.31) | — | |
| SCHEMBL19194414 | 0.71 | TRPA1 (0.34) | — | |
| SCHEMBL18078697 | 0.68 | — | — | |
| SCHEMBL4131175 | 0.68 | MAPT (0.35) | — | |
| SCHEMBL31261738 | 0.68 | MAPT (0.35) | — | |
| SCHEMBL9298 | 0.67 | TRPA1 (0.33) | — | |
| Water SCHEMBL8322206 | 0.65 | TRPA1 (0.32) | — | |
| SCHEMBL9728983 | 0.64 | TRPA1 (0.31) | — | |
| SCHEMBL9728990 | 0.64 | TRPA1 (0.39) | — | |
| Indene SCHEMBL28244023 | 0.63 | CA1 (0.52) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0041627-B1 | 3H-2-BENZAZEPINES, INTERMEDIATES, PROCESSES FOR PREPARING THEM AND COMPOSITIONS CONTAINING THEM | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1984-08-08 | — | — | EP | claimed |
| WO-2009076440-A2 | FUNGICIDAL BICYCLIC PYRAZOLES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2009-06-18 | — | — | WO | disclosed |
| WO-2008124092-A2 | SUBSTITUTED BENZENE FUNGICIDES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2008-10-16 | — | — | WO | disclosed |
| US-4549988-A | ANTICONVULSANTS, ANTIDEPRESSANTS, MUSCLE RELAXANTS, CHEMICAL INTERMEDIATES | HOFFMANN-LA ROCHE INC. (US) | 1985-10-29 | — | — | US | disclosed |
| US-4549988-A | ANTICONVULSANTS, ANTIDEPRESSANTS, MUSCLE RELAXANTS, CHEMICAL INTERMEDIATES | HOFFMANN-LA ROCHE INC. (US) | 1985-10-29 | — | — | US | disclosed |
| EP-0041627-B1 | 3H-2-BENZAZEPINES, INTERMEDIATES, PROCESSES FOR PREPARING THEM AND COMPOSITIONS CONTAINING THEM | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1984-08-08 | — | — | EP | disclosed |
| EP-0041627-A2 | 3H-2-benzazepines, intermediates, processes for preparing them and compositions containing them | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1981-12-16 | — | — | EP | disclosed |
| EP-0041627-A2 | 3H-2-benzazepines, intermediates, processes for preparing them and compositions containing them | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1981-12-16 | — | — | EP | disclosed |