⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2311217 | 0.83 | CYP2C19 (0.46) | — | |
| SCHEMBL22593333 | 0.81 | — | — | |
| SCHEMBL18884390 | 0.79 | — | — | |
| SCHEMBL178402 | 0.79 | — | — | |
| SCHEMBL13548386 | 0.79 | CYP2C19 (0.44) | — | |
| SCHEMBL15296324 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL28187462 | 0.77 | — | — | |
| SCHEMBL4984659 | 0.77 | CYP2C19 (0.40) | — | |
| SCHEMBL27635623 | 0.74 | CYP2C19 (0.38) | — | |
| SCHEMBL1258299 | 0.74 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080200454-A1 | CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S | SUNESIS PHARMACEUTICALS, INC. | 2008-08-21 | — | — | US | claimed |
| WO-2008100618-A2 | CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S | SUNESIS PHARMACEUTICALS, INC. (US) | 2008-08-21 | — | — | WO | claimed |
| EP-3294732-B1 | BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE | GILEAD SCIENCES INC (US) | 2019-09-25 | — | — | EP | disclosed |
| US-9951065-B2 | Benzimidazole and imadazopyridine carboximidamide compounds | GILEAD SCIENCES, INC. (US) | 2018-04-24 | — | — | US | disclosed |
| CN-107849024-A | With as indoleamine 2, the benzimidazole and imidazopyridine imido of 3 dioxygenase inhibitor activities are for benzamide compound | 吉利德科学公司 | 2018-03-27 | — | — | CN | disclosed |
| EP-3294732-A1 | BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE | Gilead Sciences, Inc. (US) | 2018-03-21 | — | — | EP | disclosed |
| WO-2016186967-A1 | BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE | GILEAD SCIENCES, INC. (US) | 2016-11-24 | — | — | WO | disclosed |
| US-20160333009-A1 | BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS | GILEAD SCIENCES, INC. | 2016-11-17 | — | — | US | disclosed |
| US-20080200454-A1 | CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S | SUNESIS PHARMACEUTICALS, INC. | 2008-08-21 | — | — | US | disclosed |
| WO-2008100618-A2 | CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S | SUNESIS PHARMACEUTICALS, INC. (US) | 2008-08-21 | — | — | WO | disclosed |