⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7583866 | 0.76 | CYP19A1 (0.30) | — | |
| SCHEMBL17414970 | 0.73 | CHRNB2 (0.31) | — | |
| SCHEMBL2534278 | 0.72 | — | — | |
| SCHEMBL4457056 | 0.72 | — | — | |
| SCHEMBL7208216 | 0.72 | — | — | |
| SCHEMBL4337186 | 0.72 | KDM1A (0.36) | — | |
| SCHEMBL5668209 | 0.72 | DRD2 (0.33) | — | |
| SCHEMBL17415058 | 0.72 | PBRM1 (0.31) | — | |
| SCHEMBL17416007 | 0.71 | ADORA3 (0.31) | — | |
| SCHEMBL8096659 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6365763-B1 | METALLOCENES CONTAINING AROMATIC PI LIGANDS, USEFUL FOR POLYMERIZING OLEFIN MONOMER STEREO SPECIFICALLY | BASELL POLYOLEFIN GMBH (DE) | 2002-04-02 | — | — | US | disclosed |