⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1188310 | 0.97 | — | — | |
| SCHEMBL2164248 | 0.97 | — | — | |
| SCHEMBL26927 | 0.97 | — | — | |
| SCHEMBL1189011 | 0.97 | — | — | |
| Bromide SCHEMBL1470675 | 0.95 | HTR6 (0.31) | — | |
| Hydrochloric Acid SCHEMBL1189256 | 0.95 | HTR6 (0.31) | — | |
| Hydrochloric Acid SCHEMBL3741715 | 0.95 | — | — | |
| Iodide SCHEMBL28465393 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL22576798 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL1188614 | 0.95 | HTR6 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-106905245-B | 2, 4-disubstituted pyrimidines | 正大天晴药业集团股份有限公司 | 2021-06-25 | — | — | CN | disclosed |
| CN-111836819-A | Arylamine-substituted pyrrolopyrimidine compound, and preparation method and application thereof | 北京赛特明强医药科技有限公司 | 2020-10-27 | — | — | CN | disclosed |