⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5888472 | 0.91 | — | — | |
| SCHEMBL4435865 | 0.84 | — | — | |
| SCHEMBL8989644 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL5898864 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL8157594 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL6344137 | 0.82 | — | — | |
| Chloromethane SCHEMBL8158491 | 0.80 | — | — | |
| Dimethylamine SCHEMBL6351204 | 0.78 | — | — | |
| Isopropyl Alcohol SCHEMBL6353297 | 0.74 | — | — | |
| SCHEMBL5888594 | 0.74 | — | — |
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-5451648-A | Syndiotactic, polymerization catalyst | IDEMITSU KOSAN CO., LTD. (JP) | 1995-09-19 | — | — | US | disclosed |