⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9416059 | 0.78 | — | — | |
| SCHEMBL8759848 | 0.76 | — | — | |
| SCHEMBL5960142 | 0.76 | — | — | |
| SCHEMBL5960143 | 0.76 | — | — | |
| SCHEMBL578549 | 0.76 | — | — | |
| SCHEMBL811289 | 0.73 | — | — | |
| Acetone SCHEMBL27831020 | 0.72 | LMNA (0.43) | — | |
| SCHEMBL2483976 | 0.70 | — | — | |
| SCHEMBL1066789 | 0.70 | — | — | |
| SCHEMBL3910041 | 0.70 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3094333-A1 | NO-RELEASING NITROOXY-CHROMENE CONJUGATES | Euclises Pharmaceuticals, Inc. (US) | 2016-11-23 | — | — | EP | disclosed |
| WO-2015109011-A1 | NO-RELEASING NITROOXY-CHROMENE CONJUGATES | Euclises Pharmaceuticals, Inc. (US) | 2015-07-23 | — | — | WO | disclosed |
| US-5693396-A | NEAR INFRARED LIGHT ABSORBERS | MITSUI TOATSU CHEMICALS, INC. (JP) | 1997-12-02 | — | — | US | disclosed |
| EP-0719839-A2 | Phthalocyanine compounds and optical recording media comprising them | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1996-07-03 | — | — | EP | disclosed |