⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9249303 | 0.83 | — | — | |
| SCHEMBL8714592 | 0.80 | TBXAS1 (0.40) | — | |
| SCHEMBL9243672 | 0.76 | GAA (0.32) | — | |
| SCHEMBL9247085 | 0.76 | FFAR4 (0.32) | — | |
| SCHEMBL9247046 | 0.76 | KDM4E (0.36) | — | |
| SCHEMBL9244469 | 0.76 | ALDH1A1 (0.35) | — | |
| SCHEMBL9249387 | 0.75 | GBA1 (0.35) | — | |
| SCHEMBL8714764 | 0.75 | GBA1 (0.35) | — | |
| SCHEMBL9243602 | 0.69 | CYP19A1 (0.32) | — | |
| SCHEMBL9241715 | 0.69 | SPHK1 (0.38) | — |
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-0524439-A1 | Novel cyclohexane and tetrahydropyran derivatives and antifungal compositions containing these derivatives | F.HOFFMANN-LA ROCHE & CO. AKTIENGESELLSCHAFT (CH) | 1993-01-27 | — | — | EP | claimed |
| US-5719291-A | FUNGICIDE | HOFFMANN-LA ROCHE INC. (US) | 1998-02-17 | — | — | US | disclosed |
| US-5449785-A | Fungicides with triazole groups | HOFFMANN-LA ROCHE INC. (US) | 1995-09-12 | — | — | US | disclosed |
| EP-0524439-A1 | Novel cyclohexane and tetrahydropyran derivatives and antifungal compositions containing these derivatives | F.HOFFMANN-LA ROCHE & CO. AKTIENGESELLSCHAFT (CH) | 1993-01-27 | — | — | EP | disclosed |