⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16877904 | 0.86 | — | — | |
| SCHEMBL16877685 | 0.84 | — | — | |
| SCHEMBL16877495 | 0.82 | — | — | |
| SCHEMBL16877708 | 0.82 | — | — | |
| SCHEMBL4189505 | 0.80 | — | — | |
| SCHEMBL31536585 | 0.80 | — | — | |
| SCHEMBL4076000 | 0.78 | — | — | |
| SCHEMBL16878733 | 0.76 | ALDH1A1 (0.30) | — | |
| SCHEMBL19636397 | 0.76 | — | — | |
| SCHEMBL4189503 | 0.76 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11351170-B2 | Substituted pyrimidines as CDK4/6 inhibitors | BEIJING XUANYI PHARMASCIENCES CO., LTD. (CN) | 2022-06-07 | — | — | US | disclosed |
| US-20210128555-A1 | CDK4/6 INHIBITORS AND USE THEREOF | BEIJING XUANYI PHARMASCIENCES CO., LTD. (CN) | 2021-05-06 | — | — | US | disclosed |
| WO-2019035008-A1 | CDK4/6 INHIBITORS AND USE THEREOF | BEIJING XUANYI PHARMASCIENCES CO., LTD. (CN) | 2019-02-21 | — | — | WO | disclosed |
| US-20160326157-A1 | MONOBACTAMS AND METHODS OF THEIR SYNTHESIS AND USE | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2016-11-10 | — | — | US | disclosed |
| WO-2015103583-A1 | MONOBACTAMS AND METHODS OF THEIR SYNTHESIS AND USE | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2015-07-09 | — | — | WO | disclosed |
| US-20090186868-A1 | Taxane Compound Having Azetidine Ring Structure | DAIICHI SANKYO COMPANY LIMITED (JP) | 2009-07-23 | — | — | US | disclosed |
| EP-1942109-A1 | TAXANE COMPOUND WITH AZETIDINE RING STRUCTURE | Daiichi Sankyo Company, Limited (JP) | 2008-07-09 | — | — | EP | disclosed |