⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7039663 | 0.84 | GABRA1 (0.34) | — | |
| SCHEMBL5836701 | 0.77 | RAB9A (0.37) | — | |
| SCHEMBL26606290 | 0.77 | — | — | |
| SCHEMBL7037129 | 0.77 | EDNRB (0.35) | — | |
| SCHEMBL5837897 | 0.76 | CNR2 (0.33) | — | |
| SCHEMBL29366427 | 0.74 | PDCD1 (0.34) | — | |
| SCHEMBL61908 | 0.74 | PDCD1 (0.34) | — | |
| SCHEMBL5836617 | 0.74 | MYC (0.33) | — | |
| SCHEMBL5837676 | 0.74 | — | — | |
| SCHEMBL3149399 | 0.73 | ENPP3 (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 2 patents. 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 |
| EP-1015463-B1 | METHOD FOR PRODUCING METALLOCENES | BASELL POLYOLEFINE GMBH (DE) | 2002-12-11 | — | — | EP | disclosed |