⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6448760 | 0.79 | — | — | |
| SCHEMBL1453832 | 0.78 | CDC25A (0.30) | — | |
| SCHEMBL7053946 | 0.75 | CYP19A1 (0.32) | — | |
| SCHEMBL7642643 | 0.73 | CYP19A1 (0.31) | — | |
| Lithium SCHEMBL29644507 | 0.73 | CYP19A1 (0.31) | — | |
| SCHEMBL1453690 | 0.73 | — | — | |
| SCHEMBL8577674 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL8034612 | 0.72 | CYP11B1 (0.34) | — | |
| SCHEMBL6521398 | 0.72 | KDM4E (0.32) | — | |
| SCHEMBL7782293 | 0.72 | CYP11B1 (0.31) | — |
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-0722950-B1 | Process for the preparation of bridged metallocenes | BASELL TECHNOLOGY CO BV (NL) | 2001-09-12 | — | — | EP | disclosed |
| US-5968863-A | REACTION OF LIGAND WITH DOUBLE ANION FOR POLYMERIZATION OF OLEFINS | MONTELL TECHNOLOGY COMPANY B.V. (NL) | 1999-10-19 | — | — | US | disclosed |
| EP-0722950-A1 | Process for the preparation of bridged metallocenes | Montell Technology Company bv (NL) | 1996-07-24 | — | — | EP | disclosed |