⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6247127 | 0.97 | SIGMAR1 (0.45) | — | |
| Hydrochloric Acid SCHEMBL360016 | 0.97 | SIGMAR1 (0.40) | — | |
| Hydrochloric Acid SCHEMBL11357504 | 0.97 | SIGMAR1 (0.40) | — | |
| Hydrochloric Acid SCHEMBL11358445 | 0.95 | SIGMAR1 (0.43) | — | |
| Hydrochloric Acid SCHEMBL360719 | 0.95 | SIGMAR1 (0.43) | — | |
| SCHEMBL10080908 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL361032 | 0.86 | — | — | |
| Sulfuric Acid SCHEMBL11356876 | 0.85 | EPHX1 (0.44) | — | |
| SCHEMBL733407 | 0.84 | SIGMAR1 (0.48) | — | |
| Hydrochloric Acid SCHEMBL11362111 | 0.82 | SIGMAR1 (0.47) | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11312688-B2 | Pyrazole compound | SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) | 2022-04-26 | — | — | US | disclosed |
| US-20200308119-A1 | PYRAZOLE COMPOUND | NEUROINNOVATECH APS (DK) | 2020-10-01 | — | — | US | disclosed |
| US-10723703-B2 | Pyrazole compound | SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) | 2020-07-28 | — | — | US | disclosed |
| US-20190084938-A1 | PYRAZOLE COMPOUND | NEUROINNOVATECH APS (DK) | 2019-03-21 | — | — | US | disclosed |
| US-10183913-B2 | Pyrazole compound | SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) | 2019-01-22 | — | — | US | disclosed |
| US-20170217902-A1 | PYRAZOLE COMPOUND | NEUROINNOVATECH APS (DK) | 2017-08-03 | — | — | US | disclosed |
| US-9663472-B2 | Pyrazole compound | SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) | 2017-05-30 | — | — | US | disclosed |
| EP-2594559-B1 | PYRAZOLE COMPOUND | SUMITOMO DAINIPPON PHARMA CO LTD (JP) | 2016-02-24 | — | — | EP | disclosed |
| CN-104387382-A | PYRIDO[3,4-B]INDOLES AND METHODS OF USE | MEDIVATION TECHNOLOGIES INC | 2015-03-04 | — | — | CN | disclosed |
| CN-102083830-B | Pyrido [3,4-b ] indoles and methods of use | MEDIVATION TECHNOLOGIES INC | 2014-11-12 | — | — | CN | disclosed |
| US-20140315971-A1 | PYRAZOLE COMPOUND | NEUROINNOVATECH APS (DK) | 2014-10-23 | — | — | US | disclosed |
| US-8809383-B2 | Pyrazole compound | DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) | 2014-08-19 | — | — | US | disclosed |
| US-20140031406-A1 | PYRAZOLE COMPOUND | DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) | 2014-01-30 | — | — | US | disclosed |
| US-8569353-B2 | Pyrazole compound | DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) | 2013-10-29 | — | — | US | disclosed |
| EP-2594559-A1 | PYRAZOLE COMPOUND | Dainippon Sumitomo Pharma Co., Ltd. (JP) | 2013-05-22 | — | — | EP | disclosed |
| US-20130116296-A1 | PYRAZOLE COMPOUND | NEUROINNOVATECH APS (DK) | 2013-05-09 | — | — | US | disclosed |
| WO-2012008528-A1 | PYRAZOLE COMPOUND | 大日本住友製薬株式会社 (JP) | 2012-01-19 | — | — | WO | disclosed |