⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11183545 | 0.77 | — | — | |
| SCHEMBL11353816 | 0.72 | MAPT (0.33) | — | |
| SCHEMBL796041 | 0.64 | — | — | |
| SCHEMBL16703925 | 0.62 | — | — | |
| SCHEMBL11419885 | 0.62 | — | — | |
| SCHEMBL4685599 | 0.56 | — | — | |
| SCHEMBL791166 | 0.56 | — | — | |
| SCHEMBL16704009 | 0.55 | — | — | |
| SCHEMBL16703616 | 0.55 | — | — | |
| SCHEMBL18782775 | 0.53 | POLB (0.42) | — |
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 3 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 |
| WO-2015069851-A1 | TRIAZOLE INTERMEDIATES USEFUL IN THE SYNTHESIS OF PROTECTED N-ALKYLTRIAZOLECARBALDEHYDES | BIOMARIN PHARMACEUTICAL INC. (US) | 2015-05-14 | — | — | WO | disclosed |