⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8713264 | 0.92 | — | — | |
| SCHEMBL8718809 | 0.89 | CTRC (0.35) | — | |
| SCHEMBL8714958 | 0.88 | — | — | |
| SCHEMBL8719915 | 0.86 | — | — | |
| SCHEMBL8718489 | 0.83 | KDM4E (0.31) | — | |
| SCHEMBL8718506 | 0.83 | KDM4E (0.31) | — | |
| SCHEMBL8718854 | 0.80 | — | — | |
| SCHEMBL4633587 | 0.78 | HMGCR (0.37) | — | |
| SCHEMBL8718608 | 0.78 | HPGD (0.38) | — | |
| SCHEMBL18131683 | 0.78 | ALDH1A1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5726336-A | REACTING A BENZENE COMPOUND WITH A VINYLCHLOROSILANE COMPOUND IN THE PRESENCE OF A LEWIS ACID CATALYST; INTERMEDIATES FOR SILICONE POLYMERS USEFUL AS EMULSIONS, GREASES, ADHESIVES, SEALANTS, COATINGS, IN AUTOMOTIVE AND ENGINEERING FIELDS | KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) | 1998-03-10 | — | — | US | disclosed |