⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6277722 | 0.80 | CA1 (0.34) | — | |
| SCHEMBL27549098 | 0.76 | CA2 (0.43) | — | |
| SCHEMBL27135949 | 0.76 | — | — | |
| SCHEMBL11551484 | 0.76 | — | — | |
| SCHEMBL18254244 | 0.75 | APLNR (0.46) | — | |
| SCHEMBL18254245 | 0.75 | APLNR (0.46) | — | |
| SCHEMBL18254253 | 0.75 | APLNR (0.46) | — | |
| SCHEMBL9232612 | 0.74 | — | — | |
| SCHEMBL933722 | 0.74 | — | — | |
| SCHEMBL11224183 | 0.74 | — | — |
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-3611175-B1 | NAPHTHALOCYANINE COMPOUND, METHOD FOR PRODUCING SAME, AND USE THEREOF | YAMAMOTO CHEMICALS INC (JP) | 2022-02-09 | — | — | EP | disclosed |
| US-11174274-B2 | Naphthalocyanine compound, method for producing same, and use thereof | YAMAMOTO CHEMICALS, INC. (JP) | 2021-11-16 | — | — | US | disclosed |
| US-20210107924-A1 | NAPHTHALOCYANINE COMPOUND, METHOD FOR PRODUCING SAME, AND USE THEREOF | YAMAMOTO CHEMICALS, INC. (JP) | 2021-04-15 | — | — | US | disclosed |
| EP-3611175-A1 | NAPHTHALOCYANINE COMPOUND, METHOD FOR PRODUCING SAME, AND USE THEREOF | Yamamoto Chemicals, Inc. (JP) | 2020-02-19 | — | — | EP | disclosed |