⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13993045 | 1.00 | — | — | |
| SCHEMBL4914603 | 1.00 | — | — | |
| SCHEMBL11453588 | 1.00 | — | — | |
| SCHEMBL20096269 | 1.00 | — | — | |
| SCHEMBL11453587 | 1.00 | — | — | |
| SCHEMBL145250 | 0.94 | THRB (0.47) | — | |
| SCHEMBL1440790 | 0.94 | THRB (0.47) | — | |
| SCHEMBL1071722 | 0.94 | THRB (0.47) | — | |
| SCHEMBL13993046 | 0.94 | THRB (0.47) | — | |
| SCHEMBL113492 | 0.94 | THRB (0.47) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| US-20160333009-A1 | BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS | GILEAD SCIENCES, INC. | 2016-11-17 | — | — | US | disclosed |
| EP-2118110-B1 | CYCLOPROPYL FUSED INDOLOBENZAZEPINE HCV INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2012-07-25 | — | — | EP | disclosed |
| US-7820648-B2 | Pyrimidine derivatives for the treatment of abnormal cell growth | PFIZER INC (US) | 2010-10-26 | — | — | US | disclosed |
| US-7538102-B2 | Compounds for the treatment of Hepatitis C | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-05-26 | — | — | US | disclosed |
| US-20080305082-A1 | 1,4-Bis-N-Oxide-5,8- Dihydroxyanthracenedione Compounds and the Use Thereof | NOVACEA, INC. | 2008-12-11 | — | — | US | disclosed |
| US-20080234303-A1 | PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH | PFIZER INC | 2008-09-25 | — | — | US | disclosed |
| US-20080226592-A1 | Compounds for the Treatment of Hepatitis C | BRISTOL-MYERS SQUIBB COMPANY | 2008-09-18 | — | — | US | disclosed |