⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7922674 | 0.83 | NPSR1 (0.34) | — | |
| SCHEMBL11637407 | 0.82 | ALDH1A1 (0.32) | — | |
| SCHEMBL9650548 | 0.75 | ALDH1A1 (0.36) | — | |
| SCHEMBL15632425 | 0.73 | NPSR1 (0.37) | — | |
| SCHEMBL11640116 | 0.73 | ALDH1A1 (0.36) | — | |
| SCHEMBL11637411 | 0.73 | NPSR1 (0.33) | — | |
| SCHEMBL11772103 | 0.72 | KLK5 (0.40) | — | |
| SCHEMBL14866137 | 0.69 | L3MBTL1 (0.36) | — | |
| SCHEMBL20125203 | 0.69 | ALDH1A1 (0.34) | — | |
| SCHEMBL19426007 | 0.69 | FAAH (0.39) | — |
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-4167392-A | Transfer printing process for hydrophilic fibrous material or blends of hydrophilic and synthetic fibrous material, with reactive disperse dyes | CIBA-GEIGY AG (CH) | 1979-09-11 | — | — | US | disclosed |