⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11329488 | 0.82 | ALOX5 (0.40) | — | |
| Urethane SCHEMBL28102921 | 0.78 | ALOX15 (0.46) | — | |
| SCHEMBL10639397 | 0.74 | GABRR1 (0.42) | — | |
| SCHEMBL1114588 | 0.74 | CTSL (0.42) | — | |
| SCHEMBL10824237 | 0.74 | ALOX5 (0.71) | — | |
| SCHEMBL3262113 | 0.74 | — | — | |
| SCHEMBL7898279 | 0.73 | — | — | |
| SCHEMBL1704558 | 0.73 | — | — | |
| SCHEMBL12790596 | 0.72 | CTSL (0.40) | — | |
| SCHEMBL2294201 | 0.72 | CTSL (0.40) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5567849-A | Borane-sulfide hydroboration agents | ALDRICH CHEMICAL COMPANY, INC. (US) | 1996-10-22 | — | — | US | disclosed |