⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2237727 | 0.78 | ADRB2 (0.47) | — | |
| SCHEMBL16606312 | 0.78 | CYP1A2 (0.52) | — | |
| SCHEMBL19258129 | 0.75 | TAAR1 (0.48) | — | |
| SCHEMBL2258462 | 0.75 | ALDH1A1 (0.40) | — | |
| SCHEMBL1713662 | 0.74 | ACACB (0.45) | — | |
| SCHEMBL20221188 | 0.74 | CA1 (0.50) | — | |
| SCHEMBL17619383 | 0.74 | — | — | |
| SCHEMBL6263996 | 0.74 | — | — | |
| SCHEMBL12009180 | 0.74 | CYP11B1 (0.48) | — | |
| SCHEMBL6641420 | 0.73 | KCNH2 (0.40) | — |
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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112694453-B | Preparation method of N-methylated nitrogen-containing aromatic heterocyclic compound | 中国科学院长春应用化学研究所 | 2022-09-06 | — | — | CN | claimed |
| CN-112694453-A | Preparation method of N-methylated nitrogen-containing aromatic heterocyclic compound | 中国科学院长春应用化学研究所 | 2021-04-23 | — | — | CN | claimed |
| CN-112694453-B | Preparation method of N-methylated nitrogen-containing aromatic heterocyclic compound | 中国科学院长春应用化学研究所 | 2022-09-06 | — | — | CN | disclosed |
| CN-112694453-A | Preparation method of N-methylated nitrogen-containing aromatic heterocyclic compound | 中国科学院长春应用化学研究所 | 2021-04-23 | — | — | CN | disclosed |
| WO-2021016317-A1 | MODULATORS OF TREX1 | CONSTELLATION PHARMACEUTICALS, INC. (US) | 2021-01-28 | — | — | WO | disclosed |
| EP-3538528-B1 | PYRROLE AMIDES AS ALPHA V INTEGRIN INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2020-12-23 | — | — | EP | disclosed |
| WO-2016180537-A1 | SUBSTITUTED QUINOXALINE DERIVATIVES | SELVITA S.A. (PL) | 2016-11-17 | — | — | WO | disclosed |
| CN-105189481-A | Pyridine cdk9 kinase inhibitors | ABBVIE INC | 2015-12-23 | — | — | CN | disclosed |
| US-7927623-B2 | Pleasant taste; bioabsorbable; overcoated water insoluble drug in alcohol solvent and water soluble binder; mixing, compression | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2011-04-19 | — | — | US | disclosed |
| US-7927623-B2 | Pleasant taste; bioabsorbable; overcoated water insoluble drug in alcohol solvent and water soluble binder; mixing, compression | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2011-04-19 | — | — | US | disclosed |
| US-20090318438-A1 | Heterocyclic compounds and their use as anticancer agents | CHEN XIAOLING | 2009-12-24 | — | — | US | disclosed |
| US-7501409-B2 | Preparations for oral administration | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2009-03-10 | — | — | US | disclosed |
| US-7501409-B2 | Preparations for oral administration | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2009-03-10 | — | — | US | disclosed |
| US-20090048301-A1 | HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS | IMCLONE SYSTEMS INCORPORATED (US) | 2009-02-19 | — | — | US | disclosed |
| US-20090048301-A1 | HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS | IMCLONE SYSTEMS INCORPORATED (US) | 2009-02-19 | — | — | US | disclosed |
| EP-1219609-B1 | AROMATIC NITROGENOUS SIX-MEMBERED RING COMPOUNDS | TANABE SEIYAKU CO (JP) | 2007-04-04 | — | — | EP | disclosed |
| US-20050171132-A1 | Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists | XIN ZHILI (US) | 2005-08-04 | — | — | US | disclosed |
| US-20050171131-A1 | Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists | KOSOGOF CHRISTI (US) | 2005-08-04 | — | — | US | disclosed |
| WO-2005030734-A1 | DIAMINOPYRIMIDINE DERIVATIVES AS SELECTIVE GROWTH HORMONE SECRECTGOGUE RECEPTOR (GHS-R) ANTAGONISTS | ABBOTT LABORATORIES (US) | 2005-04-07 | — | — | WO | disclosed |
| US-20050070712-A1 | Pyrimidine derivatives as ghrelin receptor modulators | ABBOTT LABORATORIES | 2005-03-31 | — | — | US | disclosed |