⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5837000 | 0.89 | — | — | |
| SCHEMBL441628 | 0.87 | — | — | |
| SCHEMBL219287 | 0.86 | — | — | |
| SCHEMBL141498 | 0.85 | — | — | |
| SCHEMBL5836075 | 0.84 | KDM4E (0.32) | — | |
| SCHEMBL8679172 | 0.81 | P2RX7 (0.38) | — | |
| SCHEMBL7899911 | 0.81 | — | — | |
| SCHEMBL7569884 | 0.80 | ADRA1A (0.31) | — | |
| SCHEMBL7909297 | 0.80 | — | — | |
| SCHEMBL140997 | 0.78 | — | — |
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-6984743-B1 | Method for producing metallocenes | BASELL POLYOLEFINE GMBH (DE) | 2006-01-10 | — | — | US | disclosed |