⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2114223 | 0.68 | — | — | |
| SCHEMBL11174630 | 0.68 | — | — | |
| SCHEMBL11162856 | 0.68 | — | — | |
| SCHEMBL3065860 | 0.67 | CA2 (0.39) | — | |
| SCHEMBL23181017 | 0.67 | MAP3K5 (0.35) | — | |
| SCHEMBL152391 | 0.66 | — | — | |
| SCHEMBL30854865 | 0.66 | — | — | |
| SCHEMBL30854866 | 0.66 | — | — | |
| SCHEMBL19990044 | 0.65 | — | — | |
| SCHEMBL13101158 | 0.65 | TNKS (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4558492-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) | 2025-05-28 | — | — | EP | disclosed |
| CN-119654315-A | 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治疗公司 | 2025-03-18 | — | — | CN | disclosed |
| US-20240101544-A1 | INHIBITORS OF QPCTL AND QPCT | 858 THERAPEUTICS, INC. | 2024-03-28 | — | — | US | disclosed |
| 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-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 |
| US-20160039783-A1 | Inhibitors of Viral Replication, Their Process of Preparation and Their Therapeutical Uses | HIVIH (FR) | 2016-02-11 | — | — | US | disclosed |
| US-20160039783-A1 | Inhibitors of Viral Replication, Their Process of Preparation and Their Therapeutical Uses | HIVIH (FR) | 2016-02-11 | — | — | US | disclosed |