⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2365758 | 0.83 | — | — | |
| SCHEMBL2365761 | 0.83 | — | — | |
| SCHEMBL2846867 | 0.83 | — | — | |
| SCHEMBL16043519 | 0.79 | — | — | |
| SCHEMBL20026541 | 0.76 | — | — | |
| SCHEMBL15443713 | 0.76 | — | — | |
| SCHEMBL28883369 | 0.75 | — | — | |
| SCHEMBL18361687 | 0.74 | — | — | |
| SCHEMBL8907228 | 0.74 | — | — | |
| SCHEMBL16054883 | 0.73 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1284653-B1 | INFRARED THERMOGRAPHY AND TREATMENT OF SEXUAL DYSFUNCTIONS | NITROMED INC (US) | 2007-11-28 | — | — | EP | disclosed |
| US-7238814-B2 | Compositions of S-nitrosothiols and methods of use | NITROMED, INC. (US) | 2007-07-03 | — | — | US | disclosed |
| US-20040162243-A1 | Compositions of S-nitrosothiols and methods of use | NITROMED, INC. | 2004-08-19 | — | — | US | disclosed |
| US-6762202-B2 | Infrared thermography and methods of use | NITROMED, INC. | 2004-07-13 | — | — | US | disclosed |
| US-20010046471-A1 | Infrared thermograpy and methods of use | NICOX S.A. (FR) | 2001-11-29 | — | — | US | disclosed |