⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22175822 | 0.75 | — | — | |
| SCHEMBL20438952 | 0.75 | — | — | |
| SCHEMBL19916790 | 0.73 | — | — | |
| SCHEMBL15315376 | 0.68 | — | — | |
| SCHEMBL2295450 | 0.67 | — | — | |
| SCHEMBL4400439 | 0.67 | — | — | |
| SCHEMBL18409223 | 0.67 | — | — | |
| SCHEMBL14114721 | 0.67 | — | — | |
| SCHEMBL18723423 | 0.67 | — | — | |
| SCHEMBL15043322 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024020517-A1 | 3-(6-PYRIDIN-3-YL)-2-[4-(4-METHYL-4H-1,2,4-TRIAZOL-3-YL)PIPERIDIN-1-YL]BENZONITRILE DERIVATIVES AND SIMILAR COMPOUNDS AS QPCTL AND QPCT INHIBITORS FOR THE TREATMENT OF CANCER | 858 THERAPEUTICS, INC. (US) | 2024-01-25 | — | — | WO | disclosed |
| WO-2022272248-A1 | CBL-B MODULATORS AND USES THEREOF | NIMBUS CLIO, INC. (US) | 2022-12-29 | — | — | WO | disclosed |
| WO-2021160132-A1 | HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF | 上海美悦生物科技发展有限公司 | 2021-08-19 | — | — | WO | disclosed |
| WO-2019136442-A1 | CD16A BINDING AGENTS AND USES THEREOF | KLEO PHARMACEUTICALS, INC. (US) | 2019-07-11 | — | — | WO | disclosed |
| WO-2018137555-A1 | POLYFLUORO-SUBSTITUTED AROMATIC HETEROCYCLIC COMPOUND DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND APPLICATIONS THEREOF | 浙江大学 | 2018-08-02 | — | — | WO | disclosed |
| WO-2014144169-A1 | CARM1 INHIBITORS AND USES THEREOF | Epizyme, Inc. (US) | 2014-09-18 | — | — | WO | disclosed |
| WO-2013097920-A1 | METAL COMPLEXES COMPRISING 1,2,3-TRIAZOLES | MERCK PATENT GMBH (DE) | 2013-07-04 | — | — | WO | disclosed |
| US-20070043011-A1 | Substituted benzanilide compound and noxious organism controlling agent | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2007-02-22 | — | — | US | disclosed |