⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11246647 | 1.00 | — | — | |
| SCHEMBL22111 | 0.97 | — | — | |
| SCHEMBL22112 | 0.97 | — | — | |
| SCHEMBL1760692 | 0.97 | — | — | |
| SCHEMBL23650044 | 0.93 | — | — | |
| Butadiene SCHEMBL4181280 | 0.93 | TRPA1 (0.45) | — | |
| Ammonia Solution, Strong SCHEMBL11663243 | 0.93 | — | — | |
| Butadiene SCHEMBL4181277 | 0.93 | TRPA1 (0.45) | — | |
| SCHEMBL29209390 | 0.93 | — | — | |
| SCHEMBL23650043 | 0.93 | — | — |
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-4362671-A | Selective hydrogenation of dinitrile to omega-aminonitrile catalyzed by rhodium organonitrogen complex catalyst | ALLIED CORPORATION (US) | 1982-12-07 | — | — | US | disclosed |
| US-4336241-A | Process for hydrogen peroxide production from hydrogen and oxygen | ALLIED CORPORATION (US) | 1982-06-22 | — | — | US | disclosed |