⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL743976 | 0.74 | USP2 (0.44) | — | |
| SCHEMBL12208814 | 0.72 | KDM4E (0.39) | — | |
| SCHEMBL12240998 | 0.70 | KDM4E (0.40) | — | |
| SCHEMBL31605033 | 0.69 | MMP2 (0.38) | — | |
| SCHEMBL30239690 | 0.65 | — | — | |
| SCHEMBL21245006 | 0.62 | SCN9A (0.32) | — | |
| SCHEMBL9487899 | 0.62 | KDM4E (0.43) | — | |
| Busulfan SCHEMBL31599367 | 0.62 | USP2 (0.46) | — | |
| SCHEMBL18978999 | 0.60 | PTPN1 (0.32) | — | |
| SCHEMBL1498544 | 0.60 | KDM4E (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160185753-A1 | DEUTERATED DIAMINOPYRIMIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SUCH COMPOUNDS | SUZHOU ZELGEN BIOPHARMACEUTICALS CO., LTD. (CN) | 2016-06-30 | — | — | US | disclosed |