⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14817654 | 0.84 | — | — | |
| SCHEMBL126432 | 0.80 | — | — | |
| SCHEMBL16307984 | 0.80 | — | — | |
| SCHEMBL134266 | 0.80 | — | — | |
| SCHEMBL9968792 | 0.80 | — | — | |
| SCHEMBL892078 | 0.80 | — | — | |
| SCHEMBL27314865 | 0.78 | — | — | |
| SCHEMBL25433 | 0.78 | — | — | |
| SCHEMBL24869 | 0.78 | — | — | |
| Methyl Alcohol SCHEMBL10749873 | 0.76 | ALDH1A1 (0.31) | — |
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-3105048-B1 | DUAL CURE STAIN RESISTANT MICROSPHERE ARTICLES | 3M INNOVATIVE PROPERTIES CO (US) | 2021-06-16 | — | — | EP | disclosed |