⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12683716 | 1.00 | ALDH1A1 (0.59) | — | |
| SCHEMBL2511248 | 0.95 | ALDH1A1 (0.55) | — | |
| SCHEMBL3077372 | 0.84 | ALDH1A1 (0.50) | — | |
| SCHEMBL11875403 | 0.80 | ALDH1A1 (0.43) | — | |
| SCHEMBL2511237 | 0.80 | CYP1A2 (0.53) | — | |
| SCHEMBL89254 | 0.79 | ALDH1A1 (0.48) | — | |
| SCHEMBL8230577 | 0.79 | CHEK1 (0.66) | — | |
| SCHEMBL11878147 | 0.79 | CHEK1 (0.66) | — | |
| SCHEMBL8889856 | 0.79 | CSNK1G1 (0.66) | — | |
| SCHEMBL31108400 | 0.78 | LRRK2 (0.46) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105802989-B | Vector, gene, method and application of recombinant protein expressed by pichia pastoris | 江苏众红生物工程创药研究院有限公司 | 2020-05-19 | — | — | CN | disclosed |
| US-8796313-B2 | Substituted dihydroisoindolones as allosteric modulators of glucokinase | JANSSEN PHARMACEUTICA N.V. (BE) | 2014-08-05 | — | — | US | disclosed |
| EP-1960385-A1 | SUBSTITUTED DIHYDROISOINDOLONES AS ALLOSTERIC MODULATORS OF GLUCOKINASE | JANSSEN PHARMACEUTICA N.V. (BE) | 2008-08-27 | — | — | EP | disclosed |
| WO-2007053503-A1 | SUBSTITUTED DIHYDROISOINDOLONES AS ALLOSTERIC MODULATORS OF GLUCOKINASE | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-05-10 | — | — | WO | disclosed |
| US-20070099930-A1 | Substituted Dihydroisoindolones As Allosteric Modulators of Glucokinase | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-05-03 | — | — | US | disclosed |
| EP-0240890-B1 | Prostacyclin (PGI2) analogues | SHIONOGI & CO (JP) | 1993-11-18 | — | — | EP | disclosed |
| US-4855449-A | Prostacyclin (PGI2) analogues | SHIONOGI & CO., LTD. (JP) | 1989-08-08 | — | — | US | disclosed |
| US-4820836-A | ANTICOAGULANTS, ANTIULCER AGENTS | SHIONOGI & CO., LTD. (JP) | 1989-04-11 | — | — | US | disclosed |