⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28467505 | 0.72 | TSHR (0.32) | — | |
| SCHEMBL11399283 | 0.72 | — | — | |
| SCHEMBL8373400 | 0.72 | — | — | |
| SCHEMBL6573519 | 0.69 | — | — | |
| SCHEMBL11872373 | 0.68 | — | — | |
| SCHEMBL4055377 | 0.67 | — | — | |
| SCHEMBL277630 | 0.65 | — | — | |
| SCHEMBL8373103 | 0.63 | — | — | |
| SCHEMBL8382135 | 0.63 | TSHR (0.33) | — | |
| SCHEMBL4392390 | 0.61 | — | — |
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 |