⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12655994 | 0.80 | OPRM1 (0.31) | — | |
| SCHEMBL12656384 | 0.73 | — | — | |
| SCHEMBL12621790 | 0.67 | GRIN2D (0.35) | — | |
| SCHEMBL12673021 | 0.66 | OPRM1 (0.31) | — | |
| SCHEMBL12656407 | 0.66 | — | — | |
| SCHEMBL28060378 | 0.64 | — | — | |
| SCHEMBL14400992 | 0.64 | — | — | |
| SCHEMBL12656144 | 0.63 | — | — | |
| SCHEMBL20789121 | 0.63 | GRIN2D (0.34) | — | |
| SCHEMBL23561192 | 0.62 | HSD11B1 (0.34) | — |
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-20110105481-A1 | FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC | PAIN THERAPEUTICS | 2011-05-05 | — | — | US | disclosed |