⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL161769 | 0.82 | — | — | |
| SCHEMBL456572 | 0.78 | — | — | |
| SCHEMBL6689007 | 0.76 | — | — | |
| SCHEMBL7276412 | 0.74 | — | — | |
| SCHEMBL900822 | 0.74 | PDE2A (0.31) | — | |
| SCHEMBL6025555 | 0.73 | — | — | |
| SCHEMBL27892046 | 0.72 | AR (0.33) | — | |
| SCHEMBL9685487 | 0.71 | MAOA (0.34) | — | |
| SCHEMBL523704 | 0.70 | — | — | |
| SCHEMBL1966020 | 0.70 | MAPT (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-110372550-A | Aryl ether and application thereof | 佩洛通治疗公司 | 2019-10-25 | — | — | CN | disclosed |
| CN-105530923-B | Aryl ethers and their use | 佩洛通治疗公司 | 2019-07-23 | — | — | CN | disclosed |
| CN-106458955-B | Aryl substituted heterocyclyl sulfones | 格吕伦塔尔有限公司 | 2019-07-19 | — | — | CN | disclosed |
| CN-109415359-A | heterocyclic GPR119 agonist compounds | 人类制药有限公司 | 2019-03-01 | — | — | CN | disclosed |
| CN-106660951-B | Herbicidally active N- (1-methyltetrazol-5-yl) benzoic acid amides | 拜耳作物科学股份公司 | 2019-02-26 | — | — | CN | disclosed |
| CN-102977036-B | 2-(poly-substituted aryl)-6-amino-5-halo-4-pyrimidinecarboxylic acids and their use as herbicides | 美国陶氏益农公司 | 2017-05-03 | — | — | CN | disclosed |
| CN-105530923-A | Aryl ethers and their use | PELOTON THERAPEUTICS INC | 2016-04-27 | — | — | CN | disclosed |