⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL298779 | 0.76 | — | — | |
| SCHEMBL11288447 | 0.74 | TSHR (0.44) | — | |
| SCHEMBL11520843 | 0.73 | — | — | |
| SCHEMBL22090 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL3108506 | 0.69 | — | — | |
| Bromide SCHEMBL11871035 | 0.69 | — | — | |
| SCHEMBL28519185 | 0.69 | — | — | |
| Ammonia Solution, Strong SCHEMBL29243293 | 0.69 | — | — | |
| Urea SCHEMBL2725491 | 0.69 | — | — | |
| SCHEMBL8764908 | 0.69 | BLM (0.44) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115403534-B | Preparation method of 3- (chloromethyl) -1-methyl-1H-1, 2,4 triazole hydrochloride | 浙江科技学院 | 2023-12-26 | — | — | CN | claimed |
| CN-115403534-A | Preparation method of 3- (chloromethyl) -1-methyl-1H-1,2,4 triazole hydrochloride | 浙江科技学院 | 2022-11-29 | — | — | CN | claimed |
| CN-115403534-B | Preparation method of 3- (chloromethyl) -1-methyl-1H-1, 2,4 triazole hydrochloride | 浙江科技学院 | 2023-12-26 | — | — | CN | disclosed |
| CN-115403534-A | Preparation method of 3- (chloromethyl) -1-methyl-1H-1,2,4 triazole hydrochloride | 浙江科技学院 | 2022-11-29 | — | — | CN | disclosed |
| US-20100160328-A1 | NEW COMPOUNDS USEFUL FOR DPP-IV ENZYME INHIBITION | SANOFI-AVENTIS (FR) | 2010-06-24 | — | — | US | disclosed |
| US-7652021-B2 | (2S)-4,4-difluoro-1-{N-[3-(pyrimidin-2-ylamino)-1-adamantyl]glycyl}pyrrolidine-2-carbonitrile; dipeptidyl peptidase IV enzyme inhibitors; non-insulin dependent diabetes mellitus | SANOFI-AVENTIS (FR) | 2010-01-26 | — | — | US | disclosed |
| EP-1664031-B1 | ADAMANTANE AND AZABICYCLO-OCTANE AND NONANE DERIVATIVES PROCESS OF THEIR PREPARATION AND THEIR USE AS DPP-IV INHIBITORS | SANOFI AVENTIS (FR) | 2007-12-19 | — | — | EP | disclosed |
| US-20060276487-A1 | New compounds useful for DPP-IV enzyme inhibition | SANOFI-AVENTIS (FR) | 2006-12-07 | — | — | US | disclosed |
| CN-1845921-A | Adamantane and azabicyclo-octane and nonane derivatives, process of their preparation and their use as DPP-IV inhibitors | SANOFI AVENTIS (FR) | 2006-10-11 | — | — | CN | disclosed |
| EP-1664031-A2 | ADAMANTANE AND AZABICYCLO-OCTANE AND NONANE DERIVATIVES PROCESS OF THEIR PREPARATION AND THEIR USE AS DPP-IV INHIBITORS | Sanofi-Aventis (FR) | 2006-06-07 | — | — | EP | disclosed |
| WO-2005021536-A2 | ADAMANTANE AND AZABICYCLO-OCTANE AND NONANE DERIVATIVES, PROCESS OF THEIR PREPARATION AND THEIR USE AS DPP-IV INHIBITORS | SANOFI-AVENTIS (FR) | 2005-03-10 | — | — | WO | disclosed |