⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29452867 | 0.74 | — | — | |
| SCHEMBL5556246 | 0.74 | — | — | |
| Methane SCHEMBL8083412 | 0.74 | SLC1A3 (0.31) | — | |
| SCHEMBL4442787 | 0.71 | — | — | |
| Ammonia Solution, Strong SCHEMBL2925853 | 0.69 | — | — | |
| SCHEMBL1618722 | 0.68 | CHRNB2 (0.36) | — | |
| SCHEMBL11444330 | 0.67 | SLC1A3 (0.31) | — | |
| SCHEMBL22558222 | 0.67 | ALDH1A1 (0.38) | — | |
| SCHEMBL5200650 | 0.67 | — | — | |
| SCHEMBL4442784 | 0.65 | — | — |
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-4197311-A | CONTROL OF INSECTS AND ACARINA, ALSO OVICIDAL USE OF DITHIOCARBONATES | AMERICAN CYANAMID COMPANY (US) | 1980-04-08 | — | — | US | disclosed |