⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2214673 | 0.85 | TSHR (0.33) | — | |
| SCHEMBL7068968 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL9568650 | 0.73 | — | — | |
| SCHEMBL5503556 | 0.71 | LMNA (0.43) | — | |
| SCHEMBL5506370 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL5503632 | 0.71 | CYP3A4 (0.34) | — | |
| SCHEMBL9169853 | 0.68 | TSHR (0.34) | — | |
| SCHEMBL11324905 | 0.68 | — | — | |
| SCHEMBL5509341 | 0.67 | CA12 (0.31) | — | |
| SCHEMBL5508100 | 0.67 | CA12 (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-0530660-A2 | Water-soluble phthalocyanine dyes, process for their preparation and the use thereof | HOECHST AKTIENGESELLSCHAFT (DE) | 1993-03-10 | — | — | EP | disclosed |