⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16031858 | 0.78 | — | — | |
| SCHEMBL18187478 | 0.76 | — | — | |
| SCHEMBL932023 | 0.75 | — | — | |
| SCHEMBL932024 | 0.75 | — | — | |
| SCHEMBL17129081 | 0.75 | — | — | |
| SCHEMBL2169684 | 0.75 | LMNA (0.33) | — | |
| SCHEMBL1690710 | 0.75 | — | — | |
| SCHEMBL1691302 | 0.75 | — | — | |
| SCHEMBL5451481 | 0.75 | LMNA (0.33) | — | |
| SCHEMBL1690712 | 0.75 | — | — |
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-8901309-B2 | Fused triazoles for the treatment or prophylaxis of mild cognitive impairment | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2014-12-02 | — | — | US | disclosed |
| US-20140350260-A1 | HETEROCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL (JP) | 2014-11-27 | — | — | US | disclosed |
| US-20130178497-A1 | FUSED TRIAZOLES FOR THE TREATMENT OR PROPHYLAXIS OF MILD COGNITIVE IMPAIRMENT | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-07-11 | — | — | US | disclosed |
| US-20120059030-A1 | HETEROCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-03-08 | — | — | US | disclosed |