⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4278531 | 0.57 | GBA1 (0.52) | — | |
| SCHEMBL1554369 | 0.57 | MAPT (0.39) | — | |
| SCHEMBL28314833 | 0.57 | — | — | |
| SCHEMBL2741119 | 0.57 | TDP1 (0.64) | — | |
| SCHEMBL14283536 | 0.57 | ALDH1A1 (0.50) | — | |
| SCHEMBL1735497 | 0.57 | ALDH1A1 (0.74) | — | |
| SCHEMBL10701880 | 0.56 | — | — | |
| Hydrochloric Acid SCHEMBL8046146 | 0.55 | ALDH1A1 (0.70) | — | |
| Hydrochloric Acid SCHEMBL8046149 | 0.55 | ALDH1A1 (0.70) | — | |
| SCHEMBL49134 | 0.54 | CHRM5 (0.52) | — |
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-0034271-B1 | DYESTUFF MIXTURES AND THEIR USE IN DYEING POLYESTERS | BASF Aktiengesellschaft (DE) | 1983-07-20 | — | — | EP | disclosed |
| EP-0034271-A2 | Dyestuff mixtures and their use in dyeing polyesters | BASF Aktiengesellschaft (DE) | 1981-08-26 | — | — | EP | disclosed |