⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8373385 | 0.92 | OPRM1 (0.44) | — | |
| SCHEMBL8372235 | 0.90 | LCK (0.43) | — | |
| SCHEMBL8374253 | 0.85 | DNM1 (0.33) | — | |
| SCHEMBL8371126 | 0.83 | — | — | |
| SCHEMBL4398732 | 0.78 | — | — | |
| SCHEMBL8372141 | 0.77 | TSHR (0.39) | — | |
| SCHEMBL8371137 | 0.76 | — | — | |
| SCHEMBL8375195 | 0.75 | DNM1 (0.33) | — | |
| SCHEMBL8375205 | 0.75 | DNM1 (0.33) | — | |
| SCHEMBL17333330 | 0.75 | — | — |
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 |