⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3499347 | 1.00 | — | — | |
| SCHEMBL5470241 | 1.00 | — | — | |
| SCHEMBL14850834 | 0.78 | — | — | |
| SCHEMBL10661661 | 0.75 | — | — | |
| SCHEMBL1883065 | 0.71 | — | — | |
| SCHEMBL3497463 | 0.71 | — | — | |
| SCHEMBL3497861 | 0.71 | — | — | |
| SCHEMBL29277045 | 0.69 | DPP4 (0.30) | — | |
| SCHEMBL4044501 | 0.67 | — | — | |
| SCHEMBL8599560 | 0.67 | — | — |
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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116710453-A | Kinase inhibitors and uses thereof | 璧辰医药技术股份有限公司 | 2023-09-05 | — | — | CN | disclosed |
| EP-2465929-B1 | R-HNL random variants and their use for preparing optically pure, sterically hindered cyanohydrins | DSM IP ASSETS BV (NL) | 2015-12-02 | — | — | EP | disclosed |
| US-20150266814-A1 | METHODS, COMPOUNDS, AND COMPOSITIONS FOR DELIVERING 1,3-PROPANEDISULFONIC ACID | BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) | 2015-09-24 | — | — | US | disclosed |
| US-9051248-B2 | Methods, compounds, and compositions for delivering 1,3-propanedisulfonic acid | BHI LIMITED PARTNERSHIP (CA) | 2015-06-09 | — | — | US | disclosed |
| CN-102471248-B | Methods, compounds, and compositions for delivering 1,3-propan ed isulfonic acid | BELLUS HEALTH INTERNATIONAL LTD | 2015-01-07 | — | — | CN | disclosed |
| US-8846366-B2 | R-hydroxynitrile lyase (R-HNL) random variants and their use for preparing optically pure, sterically hindered cyanohydrins | DSM IP ASSETS BV (NL) | 2014-09-30 | — | — | US | disclosed |
| EP-2092060-B1 | R-HNL RANDOM VARIANTS AND THEIR USE FOR PREPARING OPTICALLY PURE, STERICALLY HINDERED CYANOHYDRINS | DSM IP ASSETS BV (NL) | 2014-01-22 | — | — | EP | disclosed |
| US-20120208850-A1 | METHODS, COMPOUNDS, AND COMPOSITIONS FOR DELIVERING 1,3-PROPANEDISULFONIC ACID | BELLUS HEALTH INC. (CA) | 2012-08-16 | — | — | US | disclosed |
| EP-2464626-A1 | METHODS, COMPOUNDS, AND COMPOSITIONS FOR DELIVERING 1,3-PROPAN ED ISULFONIC ACID | Bellus Health Inc. (CA) | 2012-06-20 | — | — | EP | disclosed |
| EP-2465929-A1 | R-HNL random variants and their use for preparing optically pure, sterically hindered cyanohydrins | DSM IP Assets B.V. (NL) | 2012-06-20 | — | — | EP | disclosed |
| WO-2007108006-A1 | PROCESS FOR THE PREPARATION OF 6-(4-CHLOROPHENYL)-2,2-DIMETHYL-7-PHENYL-2, 3-DIHYDRO-1H-PYRROLIZIN-5-YL ACETIC ACID AND ITS INTERMEDIATES | UNICHEM LABORATORIES LIMITED (IN) | 2007-09-27 | — | — | WO | disclosed |
| WO-2007093765-A1 | PROCESS FOR THE CYANATION OF ALDEHYDES | NPIL PHARMACEUTICALS (UK) LIMITED (GB) | 2007-08-23 | — | — | WO | disclosed |
| US-5318945-A | Herbicides; plant growth regulators; pyrimidin-2-yl-oxy- or thio-derivatives | BASF AKTIENGESELLSCHAFT (DE) | 1994-06-07 | — | — | US | disclosed |
| US-H888-H | Agriculture; high soil persistence, reduced vertical soil movement | RHONE-POULENC AG COMPANY (US) | 1991-02-05 | — | — | US | disclosed |
| US-4859784-A | Process for the production of optically active cyanohydrins | DEGUSSA AKTIENGESELLSCHAFT (DE) | 1989-08-22 | — | — | US | disclosed |
| EP-0145907-B1 | METHOD FOR THE PREPARATION OF ALPHA-KETONITRILES | BAYER AG (DE) | 1988-05-11 | — | — | EP | disclosed |
| US-4536353-A | Process for preparing α-ketonitriles | BAYER AKTIENGESELLSCHAFT (DE) | 1985-08-20 | — | — | US | disclosed |
| EP-0145907-A2 | Method for the preparation of alpha-ketonitriles | BAYER AG (DE) | 1985-06-26 | — | — | EP | disclosed |
| US-4511562-A | (Thio)(dithio-phosphates(phosphonates), processes for their preparation, and their use in pest-combating agents | BAYER AKTIENGESELLSCHAFT (DE) | 1985-04-16 | — | — | US | disclosed |
| EP-0072482-A2 | (Thiono)(dithio)-phosphoric-(phosphonic)-acid esters, process for their preparation and their use as pesticides | BAYER AG (DE) | 1983-02-23 | — | — | EP | disclosed |