⚠ 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 | |
|---|---|---|---|---|
| Phosphonic Acid SCHEMBL1191383 | 0.83 | CA12 (0.41) | — | |
| SCHEMBL4031294 | 0.77 | CA12 (0.41) | — | |
| SCHEMBL22224085 | 0.74 | — | — | |
| SCHEMBL3379617 | 0.72 | — | — | |
| SCHEMBL28443291 | 0.72 | — | — | |
| SCHEMBL3377187 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL7112852 | 0.67 | — | — | |
| SCHEMBL65000 | 0.67 | CYP1A2 (0.53) | — | |
| SCHEMBL21574005 | 0.67 | CA12 (0.38) | — | |
| Ammonia Solution, Strong SCHEMBL5964780 | 0.64 | CYP1A2 (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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2120555-A1 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN | Heller, Adam (US) | 2009-11-25 | — | — | EP | claimed |
| US-20080287866-A1 | Methods and compositions for the treatment of pain | HELLER ADAM | 2008-11-20 | — | — | US | claimed |
| WO-2008094664-A1 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN | HELLER ADAM (US) | 2008-08-07 | — | — | WO | claimed |
| WO-2010017405-A1 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN | HELLER ADAM (US) | 2010-02-11 | — | — | WO | disclosed |
| EP-2120555-A1 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN | Heller, Adam (US) | 2009-11-25 | — | — | EP | disclosed |
| US-20080287866-A1 | Methods and compositions for the treatment of pain | HELLER ADAM | 2008-11-20 | — | — | US | disclosed |
| WO-2008094664-A1 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN | HELLER ADAM (US) | 2008-08-07 | — | — | WO | disclosed |
| CN-1059514-A | IMIDATE INSECTICIDES | ICI AMERICA INC (US) | 1992-03-18 | — | — | CN | disclosed |