⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5932326 | 0.92 | FDPS (0.31) | — | |
| SCHEMBL181414 | 0.86 | PRMT3 (0.33) | — | |
| SCHEMBL26205 | 0.78 | — | — | |
| SCHEMBL11465051 | 0.75 | TSHR (0.35) | — | |
| SCHEMBL28074882 | 0.72 | TDP1 (0.39) | — | |
| SCHEMBL18553317 | 0.72 | LMNA (0.31) | — | |
| SCHEMBL4786657 | 0.71 | — | — | |
| SCHEMBL1081915 | 0.71 | — | — | |
| SCHEMBL18315355 | 0.70 | — | — | |
| SCHEMBL6141864 | 0.70 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1108001-A1 | PIGMENT COMPOSITIONS CONTAINING SUBSTITUTED AMIDO PHTHALOCYANINE DERIVATIVES | Ciba SC Holding AG (CH) | 2001-06-20 | — | — | EP | disclosed |
| WO-2000012633-A1 | PIGMENT COMPOSITIONS CONTAINING SUBSTITUTED AMIDO PHTHALOCYANINE DERIVATIVES | CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) | 2000-03-09 | — | — | WO | disclosed |