⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11740094 | 0.76 | — | — | |
| SCHEMBL5747700 | 0.76 | — | — | |
| SCHEMBL20017378 | 0.76 | — | — | |
| SCHEMBL29956708 | 0.76 | — | — | |
| SCHEMBL7890249 | 0.76 | CA12 (0.39) | — | |
| SCHEMBL16288697 | 0.73 | — | — | |
| SCHEMBL5789919 | 0.73 | ALDH1A1 (0.48) | — | |
| SCHEMBL29440483 | 0.73 | ALDH1A1 (0.48) | — | |
| SCHEMBL2622782 | 0.73 | RRM2 (0.50) | — | |
| SCHEMBL265375 | 0.71 | — | — |
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-118647378-A | Inhibitors of Mei Nen protein interaction with MLL | 巴拉疗法公司 | 2024-09-13 | — | — | CN | disclosed |
| EP-3902796-A1 | (PYRIDIN-2-YL)AMINE DERIVATIVES AS TGF-BETA R1 (ALK5) INHIBITORS FOR THE TREATMENT OF CANCER | Nexys Therapeutics, Inc. (US) | 2021-11-03 | — | — | EP | disclosed |
| WO-2020139636-A1 | (PYRIDIN-2-YL)AMINE DERIVATIVES AS TGF-BETA R1 (ALK5) INHIBITORS FOR THE TREATMENT OF CANCER | NEXYS THERAPEUTICS, INC. (US) | 2020-07-02 | — | — | WO | disclosed |
| US-10385012-B2 | Thioamides and amides for controlling animal pests | BASF SE (DE) | 2019-08-20 | — | — | US | disclosed |
| US-20190104733-A1 | Malononitrile Compounds for Controlling Animal Pests | BASF SE (DE) | 2019-04-11 | — | — | US | disclosed |
| US-20090239845-A1 | PYRAZOLE COMPOUNDS AS PROSTAGLANDIN RECEPTORS LIGANDS | CONWAY ELIZABETH ANN | 2009-09-24 | — | — | US | disclosed |
| EP-1874303-A1 | PYRAZOLE COMPOUNDS AS PROSTAGLANDIN RECEPTORS LIGANDS | GLAXO GROUP LIMITED (GB) | 2008-01-09 | — | — | EP | disclosed |
| WO-2006114313-A1 | PYRAZOLE COMPOUNDS AS PROSTAGLANDIN RECEPTORS LIGANDS | GLAXO GROUP LIMITED (GB) | 2006-11-02 | — | — | WO | disclosed |