⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1538998 | 0.78 | — | — | |
| SCHEMBL7872448 | 0.75 | — | — | |
| SCHEMBL1315759 | 0.74 | — | — | |
| SCHEMBL27742249 | 0.74 | — | — | |
| Ammonia Solution, Strong SCHEMBL27533582 | 0.74 | — | — | |
| SCHEMBL2908772 | 0.73 | — | — | |
| SCHEMBL22115 | 0.73 | — | — | |
| SCHEMBL14958894 | 0.73 | TSHR (0.35) | — | |
| SCHEMBL20683902 | 0.72 | TSHR (0.40) | — | |
| SCHEMBL1313897 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0719839-B1 | Phthalocyanine compounds and optical recording media comprising them | MITSUI CHEMICALS INC (JP) | 2001-07-25 | — | — | EP | 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 |