⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2295372 | 0.79 | SLC18A2 (0.31) | — | |
| SCHEMBL2300278 | 0.77 | USP2 (0.30) | — | |
| SCHEMBL3275975 | 0.71 | — | — | |
| SCHEMBL2297965 | 0.71 | CACNA2D1 (0.31) | — | |
| SCHEMBL12426621 | 0.65 | SLC18A2 (0.32) | — | |
| SCHEMBL13016826 | 0.64 | ALDH1A1 (0.38) | — | |
| SCHEMBL3117086 | 0.64 | ALDH1A1 (0.38) | — | |
| SCHEMBL14152352 | 0.62 | TSHR (0.50) | — | |
| SCHEMBL2016061 | 0.62 | TSHR (0.50) | — | |
| SCHEMBL2010947 | 0.62 | TSHR (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011101245-A1 | NITRIC OXIDE RELEASING COMPOUNDS FOR THE TREATMENT OF NEUROPATHIC PAIN | NICOX S.A. (FR) | 2011-08-25 | — | — | WO | disclosed |