⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6229647 | 0.77 | CYP11B1 (0.33) | — | |
| SCHEMBL15067997 | 0.76 | — | — | |
| SCHEMBL29745657 | 0.76 | — | — | |
| SCHEMBL104184 | 0.76 | — | — | |
| SCHEMBL16289359 | 0.75 | — | — | |
| SCHEMBL17366415 | 0.75 | ALDH1A1 (0.50) | — | |
| SCHEMBL29574715 | 0.75 | ALDH1A1 (0.50) | — | |
| Water SCHEMBL28840491 | 0.74 | ALDH1A1 (0.41) | — | |
| SCHEMBL13639470 | 0.74 | CYP11B1 (0.33) | — | |
| SCHEMBL27827254 | 0.74 | CYP11B1 (0.33) | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119954831-A | Pyrimidopyrazoles, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2025-05-09 | — | — | CN | disclosed |
| CN-110198928-B | Benzyloxy-pyridinyl-cyclopropanecarboxylic acid, pharmaceutical compositions and uses thereof | 勃林格殷格翰国际有限公司 | 2023-08-29 | — | — | CN | disclosed |
| WO-2020051689-A1 | COMPOUNDS AND METHODS FOR TREATING NEMATODE INFECTIONS | THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) | 2020-03-19 | — | — | WO | disclosed |
| CN-110198928-A | Benzyloxypyridinylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof | 勃林格殷格翰国际有限公司 | 2019-09-03 | — | — | CN | disclosed |
| CN-104684907-A | Antidiabetic tricyclic compounds | MERCK SHARP & DOHME | 2015-06-03 | — | — | CN | disclosed |
| CN-104193725-A | ORGANIC COMPOUNDS | NOVARTIS AG | 2014-12-10 | — | — | CN | disclosed |
| CN-102459223-B | 5-pyridin-3-yl-1, 3-dihydro-indol-2-one derivatives and their use as aldosterone synthase and/or CYP11B1 modulators | NOVARTIS AG | 2014-11-05 | — | — | CN | disclosed |
| CN-102076665-B | Organic compounds | NOVARTIS AG | 2014-09-03 | — | — | CN | disclosed |
| US-8580780-B2 | 6 substituted 2, 3,4,5 tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonist | ELI LILLY AND COMPANY (US) | 2013-11-12 | — | — | US | disclosed |
| US-20120028961-A1 | 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist | ELI LILLY AND COMPANY (US) | 2012-02-02 | — | — | US | disclosed |
| WO-2010019930-A1 | UREA DERIVATIVES AS INHIBITORS OF MAP KINASES | LOCUS PHARMACEUTICALS, INC. (US) | 2010-02-18 | — | — | WO | disclosed |
| US-20100041642-A1 | UREA INHIBITORS OF MAP KINASES | LOCUS PHARMACEUTICALS, INC. (US) | 2010-02-18 | — | — | US | disclosed |
| US-20050250713-A1 | 11,12-Cyclic thiocarbamate macrolide antibacterial agents | ZHU BIN | 2005-11-10 | — | — | US | disclosed |