⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2285604 | 0.77 | — | — | |
| SCHEMBL185771 | 0.73 | — | — | |
| Bicarbonate SCHEMBL6422630 | 0.65 | ALDH1A1 (0.41) | — | |
| SCHEMBL9466810 | 0.63 | — | — | |
| Chloroprene SCHEMBL4623811 | 0.63 | ALDH1A1 (0.39) | — | |
| SCHEMBL30876000 | 0.63 | — | — | |
| SCHEMBL9187524 | 0.63 | — | — | |
| SCHEMBL9105673 | 0.61 | ALDH1A1 (0.38) | — | |
| Trichloroethane SCHEMBL28085537 | 0.61 | TSHR (0.32) | — | |
| SCHEMBL3793504 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0309958-A2 | Stabilized unsaturated chlorine-substituted compounds with C3, and their mixtures | DEUTSCHE SOLVAY-WERKE GMBH (DE) | 1989-04-05 | — | — | EP | disclosed |