⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8713595 | 0.97 | — | — | |
| SCHEMBL5540210 | 0.92 | — | — | |
| SCHEMBL8717473 | 0.81 | — | — | |
| SCHEMBL8714583 | 0.79 | NPC1 (0.35) | — | |
| SCHEMBL8720115 | 0.79 | NPC1 (0.35) | — | |
| SCHEMBL8714575 | 0.78 | KDM4E (0.32) | — | |
| SCHEMBL8713473 | 0.78 | — | — | |
| SCHEMBL8713861 | 0.78 | — | — | |
| SCHEMBL8719142 | 0.78 | — | — | |
| SCHEMBL8714599 | 0.78 | KDM4E (0.32) | — |
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 |