⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26653991 | 0.92 | — | — | |
| SCHEMBL29501667 | 0.92 | — | — | |
| SCHEMBL26653990 | 0.92 | — | — | |
| SCHEMBL29501689 | 0.83 | EP300 (0.32) | — | |
| SCHEMBL28988229 | 0.79 | ALDH1A1 (0.35) | — | |
| SCHEMBL5046445 | 0.78 | — | — | |
| SCHEMBL11655610 | 0.78 | — | — | |
| SCHEMBL28988265 | 0.77 | — | — | |
| SCHEMBL28988271 | 0.76 | — | — | |
| SCHEMBL28988274 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-116018334-A | Process for preparing 3- (cyclohex-1-en-1-yl) propanal derivatives | 弗门尼舍有限公司 | 2023-04-25 | — | — | CN | disclosed |