⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9249990 | 0.94 | ALDH1A1 (0.43) | — | |
| SCHEMBL16704316 | 0.92 | ALDH1A1 (0.42) | — | |
| SCHEMBL1691833 | 0.80 | — | — | |
| SCHEMBL29077124 | 0.78 | — | — | |
| SCHEMBL3647069 | 0.78 | — | — | |
| SCHEMBL6165925 | 0.76 | ALDH1A1 (0.45) | — | |
| SCHEMBL12987240 | 0.75 | HPGD (0.40) | — | |
| SCHEMBL971269 | 0.74 | ALDH1A1 (0.47) | — | |
| SCHEMBL10581957 | 0.74 | — | — | |
| SCHEMBL1691608 | 0.74 | ALDH1A1 (0.43) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4875922-A | FUNGICIDES; PLANT GROWTH REGULATORS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1989-10-24 | — | — | US | disclosed |
| CN-87108356-A | PYRIMIDINE DERIVATIVES | — | 1988-09-07 | — | — | CN | disclosed |
| EP-0272813-A2 | Pyrimidine derivatives | ZENECA LIMITED (GB) | 1988-06-29 | — | — | EP | disclosed |