⚠ 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL1160721 | 0.98 | GPR84 (0.48) | — | |
| SCHEMBL10568048 | 0.76 | — | — | |
| SCHEMBL38665365 | 0.76 | — | — | |
| SCHEMBL2632725 | 0.76 | — | — | |
| SCHEMBL1161426 | 0.76 | — | — | |
| Bromide SCHEMBL10566350 | 0.74 | GPR84 (0.48) | — | |
| Hydrochloric Acid SCHEMBL10566822 | 0.74 | GPR84 (0.48) | — | |
| SCHEMBL13141102 | 0.73 | GPR84 (0.56) | — | |
| SCHEMBL8885478 | 0.73 | GPR84 (0.72) | — | |
| SCHEMBL6244096 | 0.73 | GPR84 (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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3504185-B1 | NOVEL SUBSTITUTED N'-HYDROXYCARBAMIMIDOYL-1,2,5-OXADIAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS | MERCK SHARP & DOHME (US) | 2021-11-24 | — | — | EP | disclosed |
| EP-3504185-B1 | NOVEL SUBSTITUTED N'-HYDROXYCARBAMIMIDOYL-1,2,5-OXADIAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS | MERCK SHARP & DOHME (US) | 2021-11-24 | — | — | EP | disclosed |
| US-10988487-B2 | Substituted n′-hydroxycarbamimidoyl-1,2,5-oxadiazole compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors | MERCK SHARP & DOHME CORP. (US) | 2021-04-27 | — | — | US | disclosed |
| US-20200231606-A1 | NOVEL SUBSTITUTED N'-HYDROXYCARBAMIMIDOYL-1,2,5-OXADIAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2020-07-23 | — | — | US | disclosed |
| EP-3504185-A1 | NOVEL SUBSTITUTED N'-HYDROXYCARBAMIMIDOYL-1,2,5-OXADIAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2019-07-03 | — | — | EP | disclosed |
| WO-2018044663-A1 | NOVEL SUBSTITUTED N'-HYDROXYCARBAMIMIDOYL-1,2,5-OXADIAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2018-03-08 | — | — | WO | disclosed |
| WO-2018044663-A1 | NOVEL SUBSTITUTED N'-HYDROXYCARBAMIMIDOYL-1,2,5-OXADIAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2018-03-08 | — | — | WO | disclosed |
| WO-2011012622-A1 | BENZOXAZINONE DERIVATIVES FOR THE TREATMENT OF GLYTL MEDIATED DISORDERS | GLAXO GROUP LIMITED (GB) | 2011-02-03 | — | — | WO | disclosed |