⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9745006 | 0.82 | — | — | |
| SCHEMBL9745283 | 0.80 | ACHE (0.43) | — | |
| SCHEMBL9748972 | 0.75 | — | — | |
| SCHEMBL9766980 | 0.74 | SELP (0.39) | — | |
| SCHEMBL9749244 | 0.74 | — | — | |
| SCHEMBL18960476 | 0.73 | CA2 (0.45) | — | |
| SCHEMBL11570989 | 0.73 | CA2 (0.45) | — | |
| SCHEMBL29750112 | 0.70 | CA2 (0.42) | — | |
| SCHEMBL16644803 | 0.70 | NR1H4 (0.36) | — | |
| SCHEMBL8616760 | 0.67 | PDCD4 (0.42) | — |
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-5013850-A | 4-ethyl and 4-ethenyl-5-hydroxy-2(5H)-furanones substituted on alpha carbon of the ethyl or ethenyl side chain with a long chain alkyl group and on the beta carbon with a polar group, as anti-inflammatory agents | ALLERGAN, INC. (US) | 1991-05-07 | — | — | US | disclosed |