⚠ 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 SCHEMBL11480793 | 0.84 | TRPA1 (0.44) | — | |
| Butadiene SCHEMBL10457929 | 0.84 | TRPA1 (0.44) | — | |
| Butadiene SCHEMBL250 | 0.84 | — | — | |
| Butadiene SCHEMBL11854764 | 0.84 | TRPA1 (0.44) | — | |
| Butadiene SCHEMBL461643 | 0.84 | — | — | |
| Butadiene SCHEMBL5086702 | 0.84 | LMNA (0.54) | — | |
| Benzene SCHEMBL24022 | 0.80 | TSHR (0.38) | — | |
| Butadiene SCHEMBL10885944 | 0.80 | — | — | |
| Butadiene SCHEMBL5960939 | 0.80 | — | — | |
| Oxalic Acid SCHEMBL17985765 | 0.80 | LMNA (0.50) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110167668-B | Method for producing a catalyst with reduced attrition | 格雷斯公司 | 2023-05-02 | — | — | CN | disclosed |
| US-4410713-A | Preparation of furan compounds | E. I. DU PONT DE NEMOURS & CO. (US) | 1983-10-18 | — | — | US | disclosed |
| US-4157346-A | Catalytic epoxidation of alkylene compounds | OLIN CORPORATION (US) | 1979-06-05 | — | — | US | disclosed |