⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20886818 | 1.00 | — | — | |
| SCHEMBL24929114 | 1.00 | — | — | |
| SCHEMBL22179394 | 0.93 | ABCB11 (0.30) | — | |
| SCHEMBL12329240 | 0.93 | ABCB11 (0.30) | — | |
| SCHEMBL21961608 | 0.84 | — | — | |
| SCHEMBL21961800 | 0.84 | — | — | |
| SCHEMBL5394486 | 0.84 | — | — | |
| SCHEMBL14019768 | 0.78 | — | — | |
| SCHEMBL17971805 | 0.77 | — | — | |
| SCHEMBL30107046 | 0.77 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4290546-A1 | NONAQUEOUS ELECTROLYTE SOLUTION FOR LITHIUM SECONDARY BATTERIES, LITHIUM SECONDARY BATTERY PRECURSOR, LITHIUM SECONDARY BATTERY, AND METHOD FOR MANUFACTURING LITHIUM SECONDARY BATTERY | Mitsui Chemicals, Inc. (JP) | 2023-12-13 | — | — | EP | disclosed |
| US-20230303564-A1 | PYRIMIDINE RING COMPOUND | Zhejiang Yangli Pharmaceutical Technology Co., Ltd. (CN) | 2023-09-28 | — | — | US | disclosed |
| EP-2649045-B1 | SUBSTITUTED 1-BENZYLCYCLOALKYLCARBOXLIC ACIDS AND USE THEREOF | BAYER IP GMBH (DE) | 2015-05-27 | — | — | EP | disclosed |
| WO-2012139888-A1 | BRANCHED 3-PHENYLPROPIONIC ACID DERIVATIVES AND THE USE THEREOF | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2012-10-18 | — | — | WO | disclosed |
| WO-2011051165-A1 | SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2011-05-05 | — | — | WO | disclosed |
| EP-2261216-A2 | Pyrazoles as glucokinase activators | F. Hoffmann-La Roche AG (CH) | 2010-12-15 | — | — | EP | disclosed |