⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15127561 | 0.83 | — | — | |
| SCHEMBL553303 | 0.76 | TSHR (0.38) | — | |
| SCHEMBL12879716 | 0.75 | — | — | |
| SCHEMBL8393219 | 0.73 | TSHR (0.35) | — | |
| SCHEMBL657863 | 0.73 | — | — | |
| SCHEMBL14037649 | 0.73 | TSHR (0.35) | — | |
| SCHEMBL10550581 | 0.71 | — | — | |
| SCHEMBL14351553 | 0.71 | CA1 (0.33) | — | |
| SCHEMBL21265191 | 0.71 | — | — | |
| SCHEMBL5073889 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230348438-A1 | PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF | JAPAN TOBACCO INC. (JP) | 2023-11-02 | — | — | US | disclosed |
| WO-2022228522-A1 | ALKYNE COMPOUND AS HPK1 INHIBITOR AND USE THEREOF | 江苏先声药业有限公司 | 2022-11-03 | — | — | WO | disclosed |
| US-20200317644-A1 | PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF | JAPAN TOBACCO INC (JP) | 2020-10-08 | — | — | US | disclosed |
| US-20180346449-A1 | PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF | JAPAN TOBACCO INC (JP) | 2018-12-06 | — | — | US | disclosed |
| EP-3199533-A1 | PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF | Japan Tobacco Inc. (JP) | 2017-08-02 | — | — | EP | disclosed |
| WO-2017121650-A1 | 8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES | Grünenthal GmbH (DE) | 2017-07-20 | — | — | WO | disclosed |
| WO-2017096126-A1 | ZWITTERIONIC SULFONE POLYMER FLAT SHEET MEMBRANE | GENERAL ELECTRIC COMPANY (US) | 2017-06-08 | — | — | WO | disclosed |
| US-20160263234-A1 | PRODRUGS OF PEPTIDE EPOXY KETONE PROTEASE INHIBITORS | ONYX THERAPEUTICS, INC. | 2016-09-15 | — | — | US | disclosed |
| US-20150183763-A1 | PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF | JAPAN TOBACCO INC (JP) | 2015-07-02 | — | — | US | disclosed |
| WO-2015090603-A1 | FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES III | Grünenthal GmbH (DE) | 2015-06-25 | — | — | WO | disclosed |
| US-8846746-B2 | Pyrazole compound and pharmaceutical use thereof | JAPAN TOBACCO INC. (JP) | 2014-09-30 | — | — | US | disclosed |
| US-20130085132-A1 | PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF | JAPAN TOBACCO INC. (JP) | 2013-04-04 | — | — | US | disclosed |
| US-20110151259-A1 | POLYMERIC MATERIALS | INVIBIO LIMITED (GB) | 2011-06-23 | — | — | US | disclosed |
| US-7964697-B2 | Polyarylether membranes | GENERAL ELECTRIC COMPANY (US) | 2011-06-21 | — | — | US | disclosed |
| US-20100041853-A1 | POLYARYLETHER MEMBRANES | BL TECHNOLOGIES, INC. | 2010-02-18 | — | — | US | disclosed |