⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10249398 | 0.89 | CDK4 (0.35) | — | |
| SCHEMBL6556309 | 0.76 | IDO1 (0.43) | — | |
| SCHEMBL6556312 | 0.76 | IDO1 (0.43) | — | |
| SCHEMBL6556315 | 0.76 | IDO1 (0.43) | — | |
| SCHEMBL6556416 | 0.75 | IDO1 (0.58) | — | |
| SCHEMBL6556426 | 0.75 | IDO1 (0.58) | — | |
| SCHEMBL6556422 | 0.75 | IDO1 (0.58) | — | |
| Fumaric Acid SCHEMBL6556498 | 0.69 | IDO1 (0.52) | — | |
| Fumaric Acid SCHEMBL6556502 | 0.69 | IDO1 (0.52) | — | |
| SCHEMBL6556326 | 0.66 | IDO1 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20150238506-A1 | FUSED HETEROCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL (JP) | 2015-08-27 | — | — | US | disclosed |
| US-9079907-B2 | Fused heterocyclic compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-07-14 | — | — | US | disclosed |
| US-20140155369-A1 | PREVENTIVES/REMEDIES FOR STRESS URINARY INCONTINENCE AND METHOD OF SCREENING THE SAME | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2014-06-05 | — | — | US | disclosed |
| US-20120253036-A1 | AGENT FOR TREATING FIBROMYALGIA | ASTELLAS PHARMA INC. (JP) | 2012-10-04 | — | — | US | disclosed |
| US-20120165312-A1 | FUSED HETEROCYCLIC COMPOUND AND USE THEREOF | SHIRAI JUNYA (JP) | 2012-06-28 | — | — | US | disclosed |