⚠ 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 | |
|---|---|---|---|---|
| Tetrahydrofuran SCHEMBL17114599 | 0.98 | — | — | |
| SCHEMBL604100 | 0.87 | — | — | |
| Piperidine SCHEMBL22556777 | 0.81 | TSHR (0.33) | — | |
| SCHEMBL9751986 | 0.77 | — | — | |
| SCHEMBL1433046 | 0.70 | — | — | |
| Terephthalic Acid SCHEMBL10970615 | 0.65 | TSHR (0.57) | — | |
| Bicarbonate SCHEMBL28647212 | 0.65 | ALDH1A1 (0.57) | — | |
| Bicarbonate SCHEMBL8169227 | 0.65 | ALDH1A1 (0.57) | — | |
| Bicarbonate SCHEMBL5550742 | 0.65 | ALDH1A1 (0.57) | — | |
| Tetrahydrofuran SCHEMBL28103753 | 0.64 | PIK3CA (0.31) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9115136-B2 | Fused ring compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-08-25 | — | — | US | disclosed |
| US-8921379-B2 | Fused ring compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2014-12-30 | — | — | US | disclosed |
| US-20140046056-A1 | FUSED RING COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2014-02-13 | — | — | US | disclosed |
| US-8592431-B2 | Fused ring compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-11-26 | — | — | US | disclosed |
| EP-2384327-B1 | FUSED RING COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL (JP) | 2013-07-31 | — | — | EP | disclosed |
| US-8283353-B2 | Fused ring compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-10-09 | — | — | US | disclosed |
| US-20110294832-A1 | FUSED RING COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2011-12-01 | — | — | US | disclosed |
| US-20110288087-A1 | FUSED RING COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2011-11-24 | — | — | US | disclosed |
| EP-2384327-A1 | FUSED RING COMPOUND AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2011-11-09 | — | — | EP | disclosed |
| WO-2010087515-A1 | FUSED RING COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-08-05 | — | — | WO | disclosed |
| US-20100197683-A1 | FUSED RING COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2010-08-05 | — | — | US | disclosed |