⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL369386 | 1.00 | — | — | |
| SCHEMBL8535631 | 1.00 | — | — | |
| SCHEMBL15670538 | 0.97 | PRCP (0.50) | — | |
| SCHEMBL14972873 | 0.97 | PRCP (0.50) | — | |
| Ammonia Solution, Strong SCHEMBL28071164 | 0.97 | PRCP (0.50) | — | |
| SCHEMBL1893741 | 0.97 | PRCP (0.50) | — | |
| SCHEMBL13649836 | 0.85 | KDM1A (0.48) | — | |
| SCHEMBL15531918 | 0.84 | PRCP (0.41) | — | |
| SCHEMBL15531917 | 0.84 | PRCP (0.41) | — | |
| Pyrimidine SCHEMBL9037605 | 0.84 | CHRNB2 (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-109776371-B | Chiral tridentate ligand of nitrogen-containing heterocyclic propane and preparation method thereof | 北京化工大学 | 2020-12-25 | — | — | CN | disclosed |
| CN-109776371-A | The chiral tridentate ligand and preparation method thereof of a kind of nitrogen-containing heterocycle propane | 北京化工大学 | 2019-05-21 | — | — | CN | disclosed |
| US-20160222423-A1 | ENZYME-CATALYZED ENANTIOSELECTIVE AZIRIDINATION OF OLEFINS | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2016-08-04 | — | — | US | disclosed |
| WO-2015142001-A2 | COMPOUND HAVING CARDIOTONIC ACTIVITY AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING HEART FAILURE, CONTAINING SAME | 충남대학교산학협력단 | 2015-09-24 | — | — | WO | disclosed |
| CN-104428331-A | Active energy ray-polymerizable resin composition and laminate obtained using resin composition | TOYO INK SC HOLDINGS CO LTD | 2015-03-18 | — | — | CN | disclosed |
| WO-2012048129-A2 | INHIBITORS OF POLO-LIKE KINASE | ELAN PHARMACEUTICALS, INC. (US) | 2012-04-12 | — | — | WO | disclosed |
| CN-101255126-B | Preparation of taurine and derivatives thereof | UNIV BEIJING | 2010-12-01 | — | — | CN | disclosed |
| CN-101255126-A | Preparation of taurine and derivatives thereof | UNIV BEIJING (CN) | 2008-09-03 | — | — | CN | disclosed |