⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL391309 | 0.84 | — | — | |
| SCHEMBL27830046 | 0.82 | — | — | |
| SCHEMBL11389940 | 0.73 | — | — | |
| SCHEMBL20418131 | 0.68 | — | — | |
| SCHEMBL3677731 | 0.67 | — | — | |
| Allylamine SCHEMBL3776580 | 0.67 | ALDH1A1 (0.41) | — | |
| Toluene SCHEMBL28651130 | 0.67 | ACHE (0.50) | — | |
| SCHEMBL28135408 | 0.65 | — | — | |
| SCHEMBL797890 | 0.63 | — | — | |
| SCHEMBL1448500 | 0.63 | — | — |
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-118871426-A | Process for preparing 1,2,3,5,6, 7-hexahydro-s-dicyclopentadiene acene derivatives | 豪夫迈·罗氏有限公司 | 2024-10-29 | — | — | CN | disclosed |