⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9058897 | 1.00 | — | — | |
| Carbon Monoxide SCHEMBL9059252 | 0.90 | — | — | |
| SCHEMBL27531759 | 0.67 | — | — | |
| SCHEMBL61348 | 0.64 | — | — | |
| SCHEMBL10381944 | 0.64 | — | — | |
| SCHEMBL648363 | 0.64 | — | — | |
| Hypochlorous Acid SCHEMBL28927933 | 0.63 | — | — | |
| SCHEMBL218299 | 0.62 | — | — | |
| SCHEMBL27417571 | 0.62 | — | — | |
| SCHEMBL5839398 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1996018660-A1 | HYDROGENATION OF UNSATURATED POLYMERS USING DIVALENT NON-AROMATIC ANIONIC DIENYL-CONTAINING GROUP IV METAL CATALYSTS | THE DOW CHEMICAL COMPANY (US) | 1996-06-20 | — | — | WO | disclosed |