⚠ 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 | |
|---|---|---|---|---|
| Ethylene SCHEMBL27691897 | 0.76 | — | — | |
| Ethylene SCHEMBL28201459 | 0.76 | TRPA1 (0.45) | — | |
| Propene SCHEMBL28389911 | 0.74 | HSD17B10 (0.33) | — | |
| Propene SCHEMBL1684703 | 0.74 | HSD17B10 (0.33) | — | |
| Butadiene SCHEMBL28385656 | 0.73 | — | — | |
| SCHEMBL1760692 | 0.73 | — | — | |
| SCHEMBL22112 | 0.73 | — | — | |
| SCHEMBL22111 | 0.73 | — | — | |
| Propene SCHEMBL1332020 | 0.71 | TRPA1 (0.41) | — | |
| Propene SCHEMBL1332015 | 0.71 | TRPA1 (0.41) | — |
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-4341885-A | BLEND OF ACRYLONITRILE AND STYRENE, OR DERIVATIVE, WITH A SATURATED RUBBER AND CHLORINATED POLYETHYLENE | STAMICARBON, B.V. (NL) | 1982-07-27 | — | — | US | disclosed |