⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14616110 | 0.69 | — | — | |
| SCHEMBL601185 | 0.69 | — | — | |
| SCHEMBL29043547 | 0.69 | CYP3A4 (0.32) | — | |
| SCHEMBL12166731 | 0.67 | CYP3A4 (0.31) | — | |
| SCHEMBL1642508 | 0.65 | KMT2A (0.32) | — | |
| SCHEMBL16822138 | 0.65 | KMT2A (0.32) | — | |
| SCHEMBL16822146 | 0.65 | KMT2A (0.32) | — | |
| SCHEMBL12166970 | 0.65 | CYP2C19 (0.37) | — | |
| SCHEMBL12166967 | 0.65 | — | — | |
| SCHEMBL16371191 | 0.65 | APLNR (0.48) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3645491-B1 | POLYORGANOSILOXANE COMPOSITIONS CONTAINING A 2-SUBSTITUTED-1-ALKYNYL-1-CYCLOHEXANOL USEFUL AS A HYDROSILYLATION REACTION INHIBITOR | DOW SILICONES CORP (US) | 2021-09-15 | — | — | EP | disclosed |
| US-10876019-B2 | Polyorganosiloxane compositions containing a 2-substituted-1-alkynyl-1-cyclohexanol useful as a hydrosilylation reaction inhibitor | DOW SILICONES CORPORATION (US) | 2020-12-29 | — | — | US | disclosed |
| US-20200377759-A1 | POLYORGANOSILOXANE COMPOSITIONS CONTAINING A 2-SUBSTITUTED-1-ALKYNYL-1-CYCLOHEXANOL USEFUL AS A HYDROSILYLATION REACTION INHIBITOR | DOW SILICONES CORPORATION | 2020-12-03 | — | — | US | disclosed |
| EP-3645491-A1 | POLYORGANOSILOXANE COMPOSITIONS CONTAINING A 2-SUBSTITUTED-1-ALKYNYL-1-CYCLOHEXANOL USEFUL AS A HYDROSILYLATION REACTION INHIBITOR | Dow Silicones Corporation (US) | 2020-05-06 | — | — | EP | disclosed |
| WO-2019079365-A1 | POLYORGANOSILOXANE COMPOSITIONS CONTAINING A 2-SUBSTITUTED-1-ALKYNYL-1-CYCLOHEXANOL USEFUL AS A HYDROSILYLATION REACTION INHIBITOR | DOW SILICONES CORPORATION (US) | 2019-04-25 | — | — | WO | disclosed |