⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29777342 | 0.78 | PPP5C (0.31) | — | |
| SCHEMBL30427247 | 0.78 | PPP5C (0.31) | — | |
| SCHEMBL23091604 | 0.78 | PPP5C (0.31) | — | |
| Hydrochloric Acid SCHEMBL23628632 | 0.77 | — | — | |
| SCHEMBL17189093 | 0.74 | KDM4E (0.32) | — | |
| SCHEMBL8645497 | 0.72 | — | — | |
| SCHEMBL14783405 | 0.70 | — | — | |
| SCHEMBL29274951 | 0.65 | — | — | |
| SCHEMBL3101164 | 0.65 | — | — | |
| SCHEMBL29274949 | 0.65 | — | — |
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-107001348-B | 2-morpholine-4, 6-disubstituted pyrimidine derivatives, preparation method and medical application thereof | 上海海雁医药科技有限公司 | 2019-10-11 | — | — | CN | disclosed |
| CN-107001348-A | 2-morpholine-4, 6-disubstituted pyrimidine derivatives, preparation method and medical application thereof | 上海海雁医药科技有限公司 | 2017-08-01 | — | — | CN | disclosed |