⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11626766 | 0.77 | — | — | |
| Phosphonic Acid SCHEMBL11569501 | 0.70 | — | — | |
| SCHEMBL295752 | 0.69 | — | — | |
| SCHEMBL7875982 | 0.69 | — | — | |
| SCHEMBL8371229 | 0.65 | — | — | |
| SCHEMBL8372985 | 0.65 | — | — | |
| SCHEMBL4755272 | 0.65 | — | — | |
| SCHEMBL17487350 | 0.65 | — | — | |
| SCHEMBL8968202 | 0.64 | — | — | |
| SCHEMBL25273935 | 0.63 | LCK (0.31) | — |
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 1 patent. 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 |