⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9766914 | 0.81 | KDM4E (0.42) | — | |
| SCHEMBL9839291 | 0.73 | PGK1 (0.33) | — | |
| SCHEMBL7647360 | 0.63 | TLR8 (0.36) | — | |
| SCHEMBL15486726 | 0.63 | TRPV4 (0.33) | — | |
| SCHEMBL15490066 | 0.63 | ESR1 (0.34) | — | |
| SCHEMBL6777687 | 0.61 | CYP1A2 (0.50) | — | |
| SCHEMBL3113396 | 0.58 | TRPV4 (0.30) | — | |
| SCHEMBL366972 | 0.57 | TRPV4 (0.65) | — | |
| SCHEMBL18245129 | 0.57 | TRPV4 (0.36) | — | |
| SCHEMBL5153508 | 0.57 | TRPV4 (0.36) | — |
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 |