⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8466155 | 0.78 | — | — | |
| SCHEMBL29105 | 0.78 | — | — | |
| Dichlorodifluoromethane SCHEMBL2504829 | 0.74 | — | — | |
| Trichloromonofluoromethane SCHEMBL11107289 | 0.74 | — | — | |
| SCHEMBL10758849 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL7873745 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL11655080 | 0.73 | — | — | |
| Halothane SCHEMBL5961792 | 0.73 | HSD17B10 (0.92) | — | |
| SCHEMBL16860575 | 0.73 | — | — | |
| SCHEMBL3285173 | 0.73 | — | — |
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-3948824-A | Cellular polymeric masses | ASHLAND OIL, INC. (US) | 1976-04-06 | — | — | US | disclosed |