⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL914671 | 0.92 | TDP1 (0.30) | — | |
| SCHEMBL20447536 | 0.89 | — | — | |
| SCHEMBL14899025 | 0.81 | — | — | |
| SCHEMBL15973363 | 0.80 | CDC25A (0.31) | — | |
| SCHEMBL4489953 | 0.77 | — | — | |
| SCHEMBL25663431 | 0.77 | — | — | |
| SCHEMBL11333467 | 0.76 | — | — | |
| SCHEMBL345669 | 0.76 | — | — | |
| SCHEMBL13078188 | 0.75 | — | — | |
| SCHEMBL14899026 | 0.74 | DPP4 (0.30) | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103788097-B | Fused ring compound and its purposes | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2016-03-30 | — | — | CN | disclosed |
| 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 |
| CN-102369205-B | fused ring compound and use thereof | TAKEDA PHARMACEUTICAL CO.,LTD. (JP) | 2014-10-29 | — | — | CN | disclosed |
| CN-103788097-A | Fused ring compound and application thereof | TAKEDA PHARMACEUTICAL | 2014-05-14 | — | — | CN | 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 |
| CN-102369205-A | Fused ring compound and use thereof | TAKEDA PHARMACEUTICAL | 2012-03-07 | — | — | CN | 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 |