⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20127241 | 0.73 | CA2 (0.38) | — | |
| SCHEMBL24033682 | 0.71 | ALOX5AP (0.30) | — | |
| SCHEMBL13437128 | 0.68 | CCR1 (0.43) | — | |
| SCHEMBL10220800 | 0.68 | MAPT (0.40) | — | |
| SCHEMBL10105664 | 0.67 | CNR1 (0.31) | — | |
| SCHEMBL21788157 | 0.66 | SMN1; SMN2 (0.41) | — | |
| SCHEMBL21139100 | 0.65 | KDM4E (0.32) | — | |
| SCHEMBL4754840 | 0.65 | — | — | |
| SCHEMBL18073610 | 0.65 | — | — | |
| SCHEMBL12398487 | 0.64 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20190177332-A1 | CONDENSED-RING PYRIMIDYLAMINO DERIVATIVE, PREPARATION METHOD THEREFOR, AND INTERMEDIATE, PHARMACEUTICAL COMPOSITION AND APPLICATIONS THEREOF | GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD. (CN) | 2019-06-13 | — | — | US | disclosed |
| US-20180127420-A1 | CONDENSED-RING PYRIMIDYLAMINO DERIVATIVE, PREPARATION METHOD THEREFOR, AND INTERMEDIATE, PHARMACEUTICAL COMPOSITION AND APPLICATIONS THEREOF | GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD. (CN) | 2018-05-10 | — | — | US | disclosed |
| US-20180127420-A1 | CONDENSED-RING PYRIMIDYLAMINO DERIVATIVE, PREPARATION METHOD THEREFOR, AND INTERMEDIATE, PHARMACEUTICAL COMPOSITION AND APPLICATIONS THEREOF | GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD. (CN) | 2018-05-10 | — | — | US | disclosed |