⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9219093 | 0.82 | — | — | |
| SCHEMBL8608098 | 0.80 | — | — | |
| SCHEMBL8608095 | 0.80 | — | — | |
| SCHEMBL11791294 | 0.77 | — | — | |
| SCHEMBL6684911 | 0.77 | — | — | |
| SCHEMBL12654720 | 0.72 | — | — | |
| SCHEMBL6748303 | 0.72 | — | — | |
| SCHEMBL5868328 | 0.70 | ALDH1A1 (0.36) | — | |
| SCHEMBL7927996 | 0.69 | CES1 (0.36) | — | |
| SCHEMBL7927993 | 0.69 | CES1 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-4791634-B2 | — | — | 2011-10-12 | — | — | JP | claimed |
| EP-1169292-A1 | CYCLIC COMPOUNDS AND THEIR USE AS PRECURSORS OF FRAGRANT ALCOHOLS | Firmenich S.A. (CH) | 2002-01-09 | — | — | EP | claimed |
| WO-2000058260-A1 | CYCLIC COMPOUNDS AND THEIR USE AS PRECURSORS OF FRAGRANT ALCOHOLS | FIRMENICH S.A. (CH) | 2000-10-05 | — | — | WO | claimed |