⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4136281 | 0.84 | — | — | |
| SCHEMBL1048548 | 0.65 | — | — | |
| SCHEMBL598612 | 0.60 | — | — | |
| SCHEMBL1005162 | 0.58 | — | — | |
| SCHEMBL21333676 | 0.58 | — | — | |
| SCHEMBL21333674 | 0.58 | — | — | |
| Methylcyclopentane SCHEMBL11345052 | 0.56 | ALDH1A1 (0.40) | — | |
| Cyclohexane SCHEMBL20661632 | 0.55 | EPHX1 (0.39) | — | |
| Isopropyl Alcohol SCHEMBL10729977 | 0.54 | ALDH1A1 (1.00) | — | |
| Isopropyl Alcohol SCHEMBL16914724 | 0.54 | — | — |
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-1888668-A1 | ALCOHOL ODOROUS SUBSTANCE-RELEASING POLYSILOXANE | Evonik Degussa GmbH (DE) | 2008-02-20 | — | — | EP | disclosed |
| WO-2006131430-A1 | ALCOHOL ODOROUS SUBSTANCE-RELEASING POLYSILOXANE | EVONIK DEGUSSA GMBH (DE) | 2006-12-14 | — | — | WO | disclosed |
| CN-1746151-A | Process for producing salicylic esters | KAO CORP (JP) | 2006-03-15 | — | — | CN | disclosed |