⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1191882 | 0.85 | — | — | |
| SCHEMBL3379133 | 0.77 | MME (0.30) | — | |
| SCHEMBL3379156 | 0.75 | RNPEP (0.41) | — | |
| SCHEMBL3379157 | 0.75 | RNPEP (0.41) | — | |
| SCHEMBL3379112 | 0.74 | RNPEP (0.38) | — | |
| SCHEMBL3379103 | 0.74 | RNPEP (0.38) | — | |
| Phosphonic Acid SCHEMBL3379134 | 0.69 | RNPEP (0.36) | — | |
| Phosphonic Acid SCHEMBL3379130 | 0.69 | RNPEP (0.36) | — | |
| SCHEMBL1041476 | 0.67 | SLC7A5 (0.52) | — | |
| SCHEMBL1666836 | 0.67 | TAS1R3 (0.37) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010017405-A1 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN | HELLER ADAM (US) | 2010-02-11 | — | — | WO | claimed |
| WO-2010017405-A1 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN | HELLER ADAM (US) | 2010-02-11 | — | — | WO | disclosed |