⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7771253 | 1.00 | — | — | |
| SCHEMBL29030080 | 0.98 | — | — | |
| SCHEMBL28629969 | 0.98 | — | — | |
| SCHEMBL775803 | 0.80 | — | — | |
| SCHEMBL9786543 | 0.78 | — | — | |
| SCHEMBL233054 | 0.75 | — | — | |
| SCHEMBL7771349 | 0.75 | — | — | |
| SCHEMBL38661147 | 0.75 | — | — | |
| SCHEMBL7770937 | 0.75 | — | — | |
| SCHEMBL181913 | 0.75 | ALDH1A1 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2640780-B1 | UV CURABLE ANHYDRIDE-MODIFIED POLY(ISOBUTYLENE) | 3M INNOVATIVE PROPERTIES CO (US) | 2018-05-09 | — | — | EP | disclosed |