⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18320502 | 0.81 | — | — | |
| SCHEMBL14532197 | 0.67 | — | — | |
| SCHEMBL452596 | 0.62 | — | — | |
| SCHEMBL154955 | 0.61 | — | — | |
| Hydrochloric Acid SCHEMBL2532415 | 0.58 | TDP1 (0.31) | — | |
| Iodide SCHEMBL1835509 | 0.58 | TDP1 (0.31) | — | |
| Ammonia Solution, Strong SCHEMBL17927325 | 0.58 | TDP1 (0.31) | — | |
| SCHEMBL31296260 | 0.57 | — | — | |
| SCHEMBL723753 | 0.57 | — | — | |
| SCHEMBL18291069 | 0.57 | — | — |
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-0519423-B1 | Phthalocyanine compounds and usage thereof | MITSUI CHEMICALS INC (JP) | 1999-03-03 | — | — | EP | disclosed |
| US-5695911-A | CONTAINING PHTHALOCYANINE COMPOUND | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1997-12-09 | — | — | US | disclosed |
| US-5380842-A | Color filters | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1995-01-10 | — | — | US | disclosed |
| EP-0519423-A2 | Phthalocyanine compounds and usage thereof | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1992-12-23 | — | — | EP | disclosed |