⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5352901 | 0.90 | CSNK2A2 (0.32) | — | |
| SCHEMBL4078128 | 0.86 | GABRA1 (0.30) | — | |
| SCHEMBL5610524 | 0.81 | — | — | |
| SCHEMBL5610241 | 0.80 | — | — | |
| SCHEMBL140997 | 0.80 | — | — | |
| SCHEMBL5951556 | 0.80 | EDNRB (0.32) | — | |
| SCHEMBL5951141 | 0.79 | CSNK2A2 (0.32) | — | |
| SCHEMBL141498 | 0.79 | — | — | |
| SCHEMBL138274 | 0.79 | POLB (0.31) | — | |
| SCHEMBL5610113 | 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 |