⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20285820 | 0.84 | ALDH1A1 (0.43) | — | |
| SCHEMBL6647762 | 0.80 | — | — | |
| SCHEMBL764869 | 0.78 | — | — | |
| SCHEMBL1031938 | 0.78 | — | — | |
| SCHEMBL681141 | 0.77 | — | — | |
| SCHEMBL12640188 | 0.77 | ALDH1A1 (0.53) | — | |
| SCHEMBL1030176 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL15670496 | 0.76 | NAALAD2 (0.45) | — | |
| SCHEMBL1030177 | 0.76 | — | — | |
| SCHEMBL11993634 | 0.76 | FAAH (0.34) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240018161-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMA (US) | 2024-01-18 | — | — | US | disclosed |
| US-11325914-B1 | Inhibitors of cellular metabolic processes | SERVIER PHARMACEUTICALS LLC (US) | 2022-05-10 | — | — | US | disclosed |
| US-10800782-B2 | Inhibitors of cellular metabolic processes | Agios Pharmaceutical, Inc. (US) | 2020-10-13 | — | — | US | disclosed |
| US-20190233424-A1 | INHIBITORS OF CELLULAR METABOLIC PROCESSES | SERVIER PHARMACEUTICALS LLC | 2019-08-01 | — | — | US | disclosed |
| EP-3041841-B1 | TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF | HOFFMANN LA ROCHE (CH) | 2019-06-05 | — | — | EP | disclosed |
| US-9890135-B1 | Processes and intermediates for the preparations of isomer free prostaglandins | CHIROGATE INTERNATIONAL INC. (TW) | 2018-02-13 | — | — | US | disclosed |
| US-20170360794-A1 | JAK INHIBITOR | Wuxi Fortune Pharmaceutical Co., Ltd (CN) | 2017-12-21 | — | — | US | disclosed |