⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3381060 | 0.92 | — | — | |
| SCHEMBL21847231 | 0.83 | ALDH1A1 (0.31) | — | |
| SCHEMBL4692096 | 0.83 | ALDH1A1 (0.31) | — | |
| SCHEMBL5122025 | 0.82 | MEN1 (0.30) | — | |
| SCHEMBL4890569 | 0.82 | MEN1 (0.30) | — | |
| SCHEMBL5120479 | 0.78 | — | — | |
| SCHEMBL29501656 | 0.77 | ALOX15 (0.33) | — | |
| SCHEMBL87781 | 0.73 | ALDH1A1 (0.39) | — | |
| SCHEMBL28988214 | 0.73 | — | — | |
| SCHEMBL26653942 | 0.73 | ALDH1A1 (0.33) | — |
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 |