⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3635726 | 0.85 | — | — | |
| SCHEMBL3206590 | 0.83 | HSD17B10 (0.47) | — | |
| SCHEMBL11260452 | 0.81 | HSD17B10 (0.50) | — | |
| SCHEMBL3670558 | 0.81 | HSD17B10 (0.50) | — | |
| SCHEMBL2141099 | 0.81 | TDP1 (0.40) | — | |
| SCHEMBL1532585 | 0.79 | — | — | |
| SCHEMBL1275714 | 0.78 | — | — | |
| SCHEMBL31039667 | 0.77 | — | — | |
| SCHEMBL10638978 | 0.77 | — | — | |
| SCHEMBL7683063 | 0.75 | — | — |
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-5362708-A | 6-Chloro-3-/p-fluorophenyl/pyridazin-4-yl S-octyl thiocarbonate | AGROLINZ AGRARCHEMIKALIEN GMBH (AT) | 1994-11-08 | — | — | US | disclosed |