⚠ 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 | |
|---|---|---|---|---|
| Propene SCHEMBL27474669 | 0.86 | — | — | |
| Acrylic Acid SCHEMBL2368474 | 0.86 | LMNA (0.56) | — | |
| Succinic Acid SCHEMBL28114499 | 0.84 | LMNA (0.64) | — | |
| SCHEMBL21114358 | 0.84 | CAMK2A (0.62) | — | |
| SCHEMBL28580 | 0.84 | — | — | |
| Allylamine SCHEMBL16100785 | 0.81 | ALDH1A1 (0.45) | — | |
| Vinyl Ether SCHEMBL5669518 | 0.81 | CAMK2A (0.42) | — | |
| SCHEMBL5974270 | 0.81 | — | — | |
| SCHEMBL15741468 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL3129230 | 0.81 | — | — |
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-106794682-A | Coated-body | 大日本涂料株式会社 | 2017-05-31 | — | — | CN | disclosed |