⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16211129 | 0.80 | TSHR (0.46) | — | |
| SCHEMBL8381239 | 0.74 | TSHR (0.47) | — | |
| SCHEMBL2211631 | 0.74 | — | — | |
| SCHEMBL22219855 | 0.73 | — | — | |
| SCHEMBL24001904 | 0.73 | — | — | |
| SCHEMBL17080293 | 0.69 | — | — | |
| SCHEMBL21648892 | 0.69 | — | — | |
| Ammonia Solution, Strong SCHEMBL21462109 | 0.68 | TSHR (0.90) | — | |
| Ammonia Solution, Strong SCHEMBL27272876 | 0.68 | — | — | |
| Ammonia Solution, Strong SCHEMBL27415650 | 0.68 | TSHR (0.90) | — |
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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2819995-A1 | PROCESS FOR PREPARING 3-METHYLSULFONYLPROPIONITRILE | Olatec Industries LLC (US) | 2015-01-07 | — | — | EP | claimed |
| WO-2013130436-A1 | PROCESS FOR PREPARING 3-METHYLSULFONYLPROPIONITRILE | OLATEC INDUSTRIES LLC. (US) | 2013-09-06 | — | — | WO | claimed |
| US-20130225865-A1 | PROCESS FOR PREPARING 3-METHYLSULFONYLPROPIONITRILE | OLATEC INDUSTRIES LLC (US) | 2013-08-29 | — | — | US | claimed |
| CN-107108652-B | BACE1 inhibitors | 豪夫迈·罗氏有限公司 | 2019-06-18 | — | — | CN | disclosed |
| US-10143675-B2 | Pharmaceutical composition for treating inflammation and pain | OLATEC THERAPEUTICS LLC (US) | 2018-12-04 | — | — | US | disclosed |
| EP-3215514-B1 | BACE1 INHIBITORS | HOFFMANN LA ROCHE (CH) | 2018-11-21 | — | — | EP | disclosed |
| US-9920072-B2 | BACE1 inhibitors | HOFFMANN-LA ROCHE INC. (US) | 2018-03-20 | — | — | US | disclosed |
| US-9920072-B2 | BACE1 inhibitors | HOFFMANN-LA ROCHE INC. (US) | 2018-03-20 | — | — | US | disclosed |
| US-9920072-B2 | BACE1 inhibitors | HOFFMANN-LA ROCHE INC. (US) | 2018-03-20 | — | — | US | disclosed |
| US-20170334930-A1 | BACE1 INHIBITORS | HOFFMANN-LA ROCHE INC. | 2017-11-23 | — | — | US | disclosed |
| US-20170334930-A1 | BACE1 INHIBITORS | HOFFMANN-LA ROCHE INC. | 2017-11-23 | — | — | US | disclosed |
| US-20130225865-A1 | PROCESS FOR PREPARING 3-METHYLSULFONYLPROPIONITRILE | OLATEC INDUSTRIES LLC (US) | 2013-08-29 | — | — | US | disclosed |
| US-8445694-B2 | Hydrazonopyrazole derivatives and their use as therapeutics | DERMIRA (CANADA), INC. (US) | 2013-05-21 | — | — | US | disclosed |
| US-20110237783-A1 | HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS | Valocor Therapeutics, Inc. (CA) | 2011-09-29 | — | — | US | disclosed |
| US-7875728-B2 | tert-butyl-[5-methyl-4-(phenylhydrazono)-4H-pyrazol-3-yl]amine; 4-(3-fluorophenylhydrazono)-5-methyl-2H-pyrazol-3-ylamine; demonstrate anti-proliferative activity, and may promote apoptosis in cells lacking normal regulation of cell cycle and death | Valocor Therapeutics, Inc. (CA) | 2011-01-25 | — | — | US | disclosed |
| US-20050272709-A1 | Immugenic compositions and diagnostic and therapeutic uses thereof | DERMIRA (CANADA), INC. | 2005-12-08 | — | — | US | disclosed |
| EP-1450791-A1 | HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS | Kinetek Pharmaceuticals, Inc. (CA) | 2004-09-01 | — | — | EP | disclosed |
| WO-2003045379-A1 | HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS | KINETEK PHARMACEUTICALS, INC. (CA) | 2003-06-05 | — | — | WO | disclosed |
| US-4322351-A | Antineoplastic 4'-formylamino and 4'-acetylamino VLB, and derivatives thereof | ELI LILLY AND COMPANY (US) | 1982-03-30 | — | — | US | disclosed |
| EP-0046686-A1 | Derivatives of vincaleukoblastine, their preparation and pharmaceutical formulations containing them | ELI LILLY AND COMPANY (US) | 1982-03-03 | — | — | EP | disclosed |