⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20588316 | 0.65 | — | — | |
| SCHEMBL28183877 | 0.62 | — | — | |
| SCHEMBL13090818 | 0.62 | — | — | |
| SCHEMBL16704009 | 0.62 | — | — | |
| SCHEMBL16704267 | 0.61 | — | — | |
| SCHEMBL2936341 | 0.60 | ADORA2A (0.34) | — | |
| SCHEMBL2656115 | 0.59 | — | — | |
| SCHEMBL29300443 | 0.58 | ACHE (0.36) | — | |
| SCHEMBL29300453 | 0.58 | ADORA2A (0.33) | — | |
| SCHEMBL19114411 | 0.58 | ACHE (0.53) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160280691-A1 | TRIAZOLE INTERMEDIATES USEFUL IN THE SYNTHESIS OF PROTECTED N-ALKYLTRIAZOLECARBALDEHYDES | BIOMARIN PHARMACEUTICAL INC. | 2016-09-29 | — | — | US | disclosed |
| EP-3066084-A1 | TRIAZOLE INTERMEDIATES USEFUL IN THE SYNTHESIS OF PROTECTED N-ALKYLTRIAZOLECARBALDEHYDES | Medivation Technologies, Inc. (US) | 2016-09-14 | — | — | EP | disclosed |
| CN-105916846-A | Triazole intermediates useful in the synthesis of protected N-alkyltriazolecarbaldehydes | 麦迪韦逊科技有限公司 | 2016-08-31 | — | — | CN | disclosed |
| WO-2015069851-A1 | TRIAZOLE INTERMEDIATES USEFUL IN THE SYNTHESIS OF PROTECTED N-ALKYLTRIAZOLECARBALDEHYDES | BIOMARIN PHARMACEUTICAL INC. (US) | 2015-05-14 | — | — | WO | disclosed |