⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3614873 | 0.83 | — | — | |
| SCHEMBL11492843 | 0.76 | — | — | |
| SCHEMBL3107278 | 0.76 | — | — | |
| SCHEMBL25060911 | 0.74 | — | — | |
| SCHEMBL1581406 | 0.71 | ALDH1A1 (0.42) | — | |
| SCHEMBL23123491 | 0.71 | — | — | |
| SCHEMBL28316596 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL28316599 | 0.69 | ACACB (0.34) | — | |
| SCHEMBL28315311 | 0.69 | ACACB (0.34) | — | |
| SCHEMBL28316587 | 0.69 | CDC7 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001007409-A1 | CARBAZOLE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS | ASTRAZENECA UK LIMITED (GB) | 2001-02-01 | — | — | WO | claimed |
| US-7803822-B2 | Triazole derivative and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-09-28 | — | — | US | disclosed |
| US-20090105253-A1 | Triazole Derivative and Use Thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-04-23 | — | — | US | disclosed |
| EP-1867331-A1 | TRIAZOLE DERIVATIVE AND THE USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2007-12-19 | — | — | EP | disclosed |
| WO-2001007409-A1 | CARBAZOLE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS | ASTRAZENECA UK LIMITED (GB) | 2001-02-01 | — | — | WO | disclosed |