⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11320190 | 1.00 | — | — | |
| SCHEMBL11330776 | 0.82 | — | — | |
| SCHEMBL11334340 | 0.82 | — | — | |
| SCHEMBL11322537 | 0.79 | — | — | |
| SCHEMBL11322542 | 0.79 | — | — | |
| SCHEMBL15708421 | 0.79 | KCNA4 (0.32) | — | |
| SCHEMBL11322532 | 0.78 | — | — | |
| SCHEMBL11331780 | 0.76 | — | — | |
| SCHEMBL11326786 | 0.76 | — | — | |
| SCHEMBL166447 | 0.74 | CYP2C19 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4255530-A | COMPRISING A COPOLYMER OF AN ALIPHATIC ESTER OF (METH)ACRYLIC ACID AND A SIMILAR ESTER HAVING 2-4 HYDROXYL GROUPS AND/OR A 5-M-DIOXANYLMETHYL MALEIC ACID SEMI-ESTER; COATINGS | BAYER AKTIENGESELLSCHAFT (DE) | 1981-03-10 | — | — | US | disclosed |