⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1374239 | 0.78 | PKM (0.32) | — | |
| SCHEMBL1373892 | 0.73 | — | — | |
| SCHEMBL1370164 | 0.71 | MAPK1 (0.49) | — | |
| SCHEMBL16302289 | 0.70 | KDM4E (0.37) | — | |
| SCHEMBL29599566 | 0.70 | PPM1D (0.33) | — | |
| SCHEMBL16516673 | 0.70 | PPM1D (0.33) | — | |
| SCHEMBL1371567 | 0.69 | PDE4B (0.35) | — | |
| SCHEMBL15822448 | 0.69 | — | — | |
| SCHEMBL15822446 | 0.69 | — | — | |
| SCHEMBL20358468 | 0.69 | KMT2A (0.40) | — |
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 10 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 |
| US-20100197683-A1 | FUSED RING COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2010-08-05 | — | — | US | disclosed |
| WO-2010087515-A1 | FUSED RING COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-08-05 | — | — | WO | disclosed |