⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7733564 | 0.67 | CHRM2 (0.31) | — | |
| SCHEMBL1685527 | 0.65 | OXTR (0.31) | — | |
| SCHEMBL8665927 | 0.62 | OXTR (0.31) | — | |
| SCHEMBL7196710 | 0.62 | KDM4E (0.32) | — | |
| SCHEMBL251287 | 0.61 | KDM4E (0.39) | — | |
| SCHEMBL29387054 | 0.61 | KDM4E (0.39) | — | |
| SCHEMBL20951333 | 0.60 | MAPT (0.35) | — | |
| Ammonia Solution, Strong SCHEMBL7086115 | 0.60 | KDM4E (0.38) | — | |
| SCHEMBL28056042 | 0.60 | KDM4E (0.38) | — | |
| SCHEMBL27414073 | 0.60 | KDM4E (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-2001031694-A | TRANSITION METAL COMPOUND, CATALYST COMPOSITION, ITS PRODUCTION PROCESS AND USE THEREOF FOR OLEFIN POLYMERIZATION | TARGOR GMBH | 2001-02-06 | — | — | JP | disclosed |