⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL10465265 | 0.97 | HTR2A (0.67) | — | |
| SCHEMBL16559360 | 0.89 | HTR2A (0.58) | — | |
| SCHEMBL29724224 | 0.89 | HTR2A (0.64) | — | |
| SCHEMBL5221227 | 0.89 | HTR2A (0.64) | — | |
| SCHEMBL30218134 | 0.89 | HTR2A (0.64) | — | |
| SCHEMBL5496769 | 0.89 | HTR2A (0.64) | — | |
| SCHEMBL14102387 | 0.86 | HTR2A (0.55) | — | |
| SCHEMBL29676733 | 0.83 | HTR2C (1.00) | — | |
| SCHEMBL2881688 | 0.83 | HTR2C (1.00) | — | |
| Hydrochloric Acid SCHEMBL5767968 | 0.81 | HTR2C (0.96) | — |
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 5 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 |
| US-20180166632-A1 | HIGH MOLECULAR COMPOUND, ORGANIC ELECTROLUMINESCENCE ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE | IDEMITSU KOSAN CO., LTD. (JP) | 2018-06-14 | — | — | US | disclosed |
| US-9929347-B2 | Polymer compound and light emitting element using same | SUMITOMO CHEMICAL COMPANY, LIMTIED (JP) | 2018-03-27 | — | — | US | 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 |
| US-20140231771-A1 | CROSS-LINKING POLYMER AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME | IDEMITSU KOSAN CO., LTD. | 2014-08-21 | — | — | US | disclosed |