⚠ 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 SCHEMBL11197818 | 0.76 | — | — | |
| Butadiene SCHEMBL11854764 | 0.74 | TRPA1 (0.44) | — | |
| Butadiene SCHEMBL10457929 | 0.74 | TRPA1 (0.44) | — | |
| Butadiene SCHEMBL250 | 0.74 | — | — | |
| Butadiene SCHEMBL461643 | 0.74 | — | — | |
| Butadiene SCHEMBL11480793 | 0.74 | TRPA1 (0.44) | — | |
| Butadiene SCHEMBL10885944 | 0.71 | — | — | |
| Butadiene SCHEMBL5960939 | 0.71 | — | — | |
| Butadiene SCHEMBL23406461 | 0.68 | — | — | |
| Butadiene SCHEMBL3122214 | 0.68 | — | — |
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-0377175-A2 | Pattern forming composition and process for forming pattern using the same | HITACHI, LTD. (JP) | 1990-07-11 | — | — | EP | disclosed |