⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8419178 | 0.89 | NOS3 (0.30) | — | |
| SCHEMBL8421331 | 0.85 | — | — | |
| SCHEMBL8422857 | 0.85 | — | — | |
| SCHEMBL8419320 | 0.85 | — | — | |
| SCHEMBL8422958 | 0.82 | — | — | |
| SCHEMBL8423041 | 0.79 | — | — | |
| SCHEMBL6250170 | 0.77 | — | — | |
| SCHEMBL8419230 | 0.75 | — | — | |
| SCHEMBL8422766 | 0.73 | NOS3 (0.31) | — | |
| SCHEMBL8420961 | 0.72 | — | — |
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 |