⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12947559 | 0.83 | — | — | |
| SCHEMBL254226 | 0.81 | PDE4B (0.30) | — | |
| SCHEMBL12862737 | 0.71 | GAA (0.33) | — | |
| SCHEMBL138823 | 0.67 | — | — | |
| SCHEMBL12947528 | 0.66 | RIPK1 (0.30) | — | |
| SCHEMBL20073549 | 0.65 | PDE10A (0.40) | — | |
| SCHEMBL23844397 | 0.63 | HRH4 (0.33) | — | |
| SCHEMBL27283088 | 0.63 | CYP19A1 (0.31) | — | |
| SCHEMBL18692292 | 0.62 | HPGD (0.41) | — | |
| SCHEMBL17356152 | 0.62 | ALDH1A1 (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 7 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-8822699-B2 | Heterocyclic compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2014-09-02 | — | — | 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-8349880-B2 | Bicyclic compounds for the reduction of beta-amyloid production | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-01-08 | — | — | US | disclosed |
| US-20120059030-A1 | HETEROCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-03-08 | — | — | US | disclosed |
| US-20110015175-A1 | Bicyclic Compounds for the Reduction of Beta-Amyloid Production | BRISTOL-MYERS SQUIBB COMPANY | 2011-01-20 | — | — | US | disclosed |