⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9748972 | 0.87 | — | — | |
| SCHEMBL9745006 | 0.78 | — | — | |
| SCHEMBL9745283 | 0.78 | ACHE (0.43) | — | |
| SCHEMBL9766980 | 0.77 | SELP (0.39) | — | |
| SCHEMBL15700832 | 0.76 | EPHX1 (0.52) | — | |
| SCHEMBL9767238 | 0.74 | — | — | |
| SCHEMBL28124095 | 0.70 | ZDHHC7 (0.49) | — | |
| SCHEMBL16644803 | 0.69 | NR1H4 (0.36) | — | |
| SCHEMBL4551744 | 0.69 | TERT (0.46) | — | |
| SCHEMBL4551745 | 0.69 | TERT (0.46) | — |
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-5089485-A | ANTI-INFLAMMATORY FURANONES | ALLERGAN, INC. (US) | 1992-02-18 | — | — | US | disclosed |