⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9783119 | 0.89 | — | — | |
| SCHEMBL9783819 | 0.88 | HPGDS (0.32) | — | |
| SCHEMBL9783729 | 0.84 | TAAR1 (0.43) | — | |
| SCHEMBL9808647 | 0.75 | CYP11B1 (0.41) | — | |
| SCHEMBL9783196 | 0.73 | HPGDS (0.45) | — | |
| SCHEMBL9843564 | 0.72 | HPGDS (0.31) | — | |
| SCHEMBL9783781 | 0.71 | TAAR1 (0.48) | — | |
| SCHEMBL9783825 | 0.70 | ALOX5 (0.34) | — | |
| SCHEMBL9783999 | 0.70 | — | — | |
| SCHEMBL9783990 | 0.69 | HPGDS (0.45) | — |
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 2 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 |