⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27986785 | 0.78 | — | — | |
| SCHEMBL28265860 | 0.76 | — | — | |
| SCHEMBL9782429 | 0.76 | — | — | |
| SCHEMBL7992322 | 0.76 | — | — | |
| SCHEMBL17591495 | 0.70 | — | — | |
| SCHEMBL28003526 | 0.68 | — | — | |
| SCHEMBL14033956 | 0.67 | SLC6A3 (0.46) | — | |
| SCHEMBL9804376 | 0.67 | — | — | |
| SCHEMBL14824324 | 0.67 | — | — | |
| SCHEMBL28028477 | 0.65 | HDAC8 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-109776427-A | Double aminated compounds of pyrimidine and application thereof | 沈阳中化农药化工研发有限公司 | 2019-05-21 | — | — | CN | disclosed |