⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10189193 | 0.82 | — | — | |
| SCHEMBL59142 | 0.70 | — | — | |
| SCHEMBL28797694 | 0.70 | — | — | |
| Water SCHEMBL10918338 | 0.70 | LOX (0.50) | — | |
| Water SCHEMBL16115412 | 0.70 | — | — | |
| Water SCHEMBL1335153 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL116850 | 0.67 | — | — | |
| SCHEMBL29659381 | 0.67 | — | — | |
| Bromide SCHEMBL21357333 | 0.67 | — | — | |
| SCHEMBL30900649 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9604935-B2 | Deuterated phenyl amino pyrimidine compound and pharmaceutical composition containing the same | SUZHOU ZELGEN BIOPHARMACEUTICALS CO., LTD. (CN) | 2017-03-28 | — | — | US | disclosed |
| US-20160060227-A1 | DEUTERATED PHENYL AMINO PYRIMIDINE COMPOUND AND PHARMACEUTICAL COMPOSITION CONTAINING SAME | SUZHOU ZELGEN BIOPHARMACEUTICALS CO., LTD. (CN) | 2016-03-03 | — | — | US | disclosed |