⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL675215 | 1.00 | — | — | |
| SCHEMBL11456995 | 1.00 | — | — | |
| SCHEMBL7794325 | 0.89 | ALDH1A1 (0.50) | — | |
| SCHEMBL10952289 | 0.79 | ALDH1A1 (0.52) | — | |
| SCHEMBL10952287 | 0.79 | ALDH1A1 (0.52) | — | |
| SCHEMBL28352153 | 0.79 | ALDH1A1 (0.52) | — | |
| SCHEMBL873402 | 0.79 | — | — | |
| SCHEMBL873403 | 0.79 | — | — | |
| SCHEMBL2313038 | 0.78 | PTGS1 (0.67) | — | |
| SCHEMBL11842623 | 0.78 | PTGS1 (0.67) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4938950-A | Water solubility | WELLA AKTIENGESELLSCHAFT (DE) | 1990-07-03 | — | — | US | disclosed |