⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3277051 | 0.85 | — | — | |
| SCHEMBL3442430 | 0.76 | CA12 (0.36) | — | |
| SCHEMBL3277427 | 0.76 | CA12 (0.40) | — | |
| SCHEMBL13105649 | 0.75 | USP2 (0.44) | — | |
| SCHEMBL3278446 | 0.74 | TMEM97 (0.30) | — | |
| Hydrochloric Acid SCHEMBL3276629 | 0.74 | USP2 (0.43) | — | |
| SCHEMBL2295369 | 0.71 | — | — | |
| SCHEMBL13016826 | 0.63 | ALDH1A1 (0.38) | — | |
| SCHEMBL14697023 | 0.61 | CA12 (0.46) | — | |
| SCHEMBL23200526 | 0.60 | PTGS2 (0.43) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7812039-B2 | analgesic drug for treating neuropathic pain is selected from gabapentine, norvaline, pregabaline, (S)3-isobutylGABA, arginine, thiocitrulline, agmantine, vigabatrin etc. and a NO donar drugs belonging to the classes of aspirin, ibuprofen, paracetamol, naproxen, diclofenac or flurbiprofen | NICOX S.A. (FR) | 2010-10-12 | — | — | US | disclosed |
| US-7696230-B2 | Drugs for chronic pains | NICOX S.A. (FR) | 2010-04-13 | — | — | US | disclosed |
| US-20080113950-A1 | Drugs for chronic pains | NICOX S.A. | 2008-05-15 | — | — | US | disclosed |
| US-20070161576-A1 | Drugs for chronic pains | NICOX S.A. | 2007-07-12 | — | — | US | disclosed |
| US-7199141-B2 | Drugs for chronic pains | NICOX S.A. (FR) | 2007-04-03 | — | — | US | disclosed |
| US-20040171682-A1 | Drugs for chronic pains | NICOX S.A. (FR) | 2004-09-02 | — | — | US | disclosed |
| EP-1417165-A2 | DRUGS FOR CHRONIC PAINS | Nicox S.A. (FR) | 2004-05-12 | — | — | EP | disclosed |
| WO-2003000642-A2 | DRUGS FOR CHRONIC PAINS | NICOX S.A. (FR) | 2003-01-03 | — | — | WO | disclosed |