⚠ 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 | |
|---|---|---|---|---|
| Butadiene SCHEMBL1086689 | 0.94 | — | — | |
| Butadiene SCHEMBL28119587 | 0.94 | TRPA1 (0.33) | — | |
| Butadiene SCHEMBL940440 | 0.89 | — | — | |
| Butadiene SCHEMBL628137 | 0.88 | — | — | |
| Propene SCHEMBL11619079 | 0.88 | TSHR (0.31) | — | |
| Propene SCHEMBL2892158 | 0.88 | — | — | |
| Propene SCHEMBL9431638 | 0.82 | — | — | |
| Propene SCHEMBL193 | 0.82 | — | — | |
| Propene SCHEMBL342422 | 0.82 | — | — | |
| Propene SCHEMBL4948068 | 0.82 | TSHR (0.33) | — |
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-4548706-A | UNDER HIGH PRESSURE | STANDARD OIL COMPANY (INDIANA) (US) | 1985-10-22 | — | — | US | disclosed |