⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6674774 | 0.88 | KDM4E (0.30) | — | |
| SCHEMBL6674758 | 0.86 | KDM4E (0.31) | — | |
| SCHEMBL6673552 | 0.85 | KDM4E (0.31) | — | |
| SCHEMBL6672938 | 0.84 | KDM4E (0.30) | — | |
| SCHEMBL8675731 | 0.75 | OXTR (0.30) | — | |
| SCHEMBL6546834 | 0.73 | OXTR (0.32) | — | |
| SCHEMBL6294617 | 0.70 | CHRM3 (0.30) | — | |
| SCHEMBL3371963 | 0.70 | CHRM3 (0.30) | — | |
| SCHEMBL4398821 | 0.70 | OXTR (0.32) | — | |
| SCHEMBL730893 | 0.70 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0963990-B1 | PROCESS FOR PRODUCING CYCLOPENTADIENYL METAL SALTS AND PROCESS FOR PRODUCING CYCLOPENTADIENE DERIVATIVES BY UTILIZING THE SAME | SUMITOMO CHEMICAL CO (JP) | 2004-10-06 | — | — | EP | disclosed |
| US-6197990-B1 | REACTING CYCLOPENTADIENE AND METAL HYDRIDE IN PRESENCE OF AMINE COMPOUND | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2001-03-06 | — | — | US | disclosed |
| EP-0963990-A1 | PROCESS FOR PRODUCING CYCLOPENTADIENYL METAL SALTS AND PROCESS FOR PRODUCING CYCLOPENTADIENE DERIVATIVES BY UTILIZING THE SAME | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1999-12-15 | — | — | EP | disclosed |