⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8422930 | 0.70 | — | — | |
| SCHEMBL8419118 | 0.68 | TP53 (0.31) | — | |
| SCHEMBL8422837 | 0.65 | — | — | |
| SCHEMBL8422888 | 0.65 | — | — | |
| SCHEMBL8422893 | 0.63 | KDM4E (0.31) | — | |
| SCHEMBL231005 | 0.62 | ESR1 (0.56) | — | |
| Hydrochloric Acid SCHEMBL8420966 | 0.62 | — | — | |
| Methylamine SCHEMBL27259536 | 0.59 | ESR1 (0.52) | — | |
| SCHEMBL7595485 | 0.54 | ALDH1A1 (0.46) | — | |
| SCHEMBL1107767 | 0.54 | TP53 (0.48) | — |
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-0945458-A2 | Transition metal compound, polymerization catalyst comprising it, and method for producing polymers using the polymerization catalyst | IDEMITSU PETROCHEMICAL CO., LTD. (JP) | 1999-09-29 | — | — | EP | disclosed |