⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9808549 | 0.79 | CYP11B1 (0.36) | — | |
| SCHEMBL9783032 | 0.76 | — | — | |
| SCHEMBL9783496 | 0.74 | CYP11B1 (0.33) | — | |
| SCHEMBL9783489 | 0.71 | CYP11B1 (0.31) | — | |
| SCHEMBL9808649 | 0.70 | CYP11B1 (0.44) | — | |
| SCHEMBL9783750 | 0.67 | CYP19A1 (0.54) | — | |
| SCHEMBL9783900 | 0.66 | TBXAS1 (0.33) | — | |
| SCHEMBL9783805 | 0.66 | CYP19A1 (0.41) | — | |
| SCHEMBL9783155 | 0.66 | ESR1 (0.35) | — | |
| Imidazole SCHEMBL9783761 | 0.66 | CYP19A1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5051514-A | Complexing boranes and imidazoles | CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) | 1991-09-24 | — | — | US | disclosed |
| EP-0432987-A2 | Fungicidal organoborane imidazole compounds and intermediates therefor | CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) | 1991-06-19 | — | — | EP | disclosed |
| US-4983589-A | Fungicidal imidazole diphenylaliphaticboranes and derivatives thereof | CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) | 1991-01-08 | — | — | US | disclosed |