⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4401537 | 0.80 | — | — | |
| SCHEMBL2884491 | 0.75 | — | — | |
| SCHEMBL6113201 | 0.73 | — | — | |
| SCHEMBL8375203 | 0.73 | — | — | |
| SCHEMBL8373936 | 0.73 | — | — | |
| SCHEMBL4393307 | 0.73 | — | — | |
| SCHEMBL8373738 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL8373710 | 0.73 | DNM1 (0.35) | — | |
| SCHEMBL10762332 | 0.71 | — | — | |
| SCHEMBL4753898 | 0.71 | — | — |
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-0619345-B1 | Phthalocyanine compound and optical recording medium containing it | MITSUI CHEMICALS INC (JP) | 1999-08-25 | — | — | EP | disclosed |
| US-5750229-A | Phthalocyanine compound and optical recording medium containing it | MITSUI TOATSU CHEMICALS, INC. (JP) | 1998-05-12 | — | — | US | disclosed |
| US-5646273-A | FOR USE IN OPTICAL DISKS | MITSUI TOATSU CHEMICALS, INC. (JP) | 1997-07-08 | — | — | US | disclosed |
| EP-0619345-A1 | Phthalocyanine compound and optical recording medium containing it | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1994-10-12 | — | — | EP | disclosed |