⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7699865 | 1.00 | — | — | |
| SCHEMBL686971 | 0.98 | GPR84 (0.45) | — | |
| SCHEMBL7561421 | 0.98 | GPR84 (0.45) | — | |
| SCHEMBL7614472 | 0.98 | GPR84 (0.45) | — | |
| SCHEMBL5353579 | 0.98 | GPR84 (0.45) | — | |
| SCHEMBL11116040 | 0.98 | GPR84 (0.45) | — | |
| SCHEMBL8845886 | 0.98 | GPR84 (0.45) | — | |
| SCHEMBL15153587 | 0.98 | GPR84 (0.45) | — | |
| SCHEMBL5353586 | 0.98 | GPR84 (0.45) | — | |
| SCHEMBL8179839 | 0.98 | GPR84 (0.45) | — |
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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5326702-A | Hydrolysis of the nitrile | NITTO CHEMICAL INDUSTRY CO., LTD. (JP) | 1994-07-05 | — | — | US | claimed |
| CN-119192025-A | Industrial preparation method and application of alpha-hydroxynitrile | 哈尔滨理工大学 | 2024-12-27 | — | — | CN | disclosed |
| CN-113574041-A | Method for producing bisphenol and method for producing polycarbonate resin | 三菱化学株式会社 | 2021-10-29 | — | — | CN | disclosed |
| WO-2020189201-A1 | METHOD FOR PRODUCING BISPHENOL AND METHOD FOR PRODUCING POLYCARBONATE RESIN | 三菱ケミカル株式会社 | 2020-09-24 | — | — | WO | disclosed |
| EP-1730291-B1 | NITRILE HYDRATASE OF RHODOCOCCUS | EVONIK DEGUSSA GMBH (DE) | 2012-12-05 | — | — | EP | disclosed |
| EP-1730177-B1 | CYANIDE TOLERANT NITRILHYDRATASES | EVONIK DEGUSSA GMBH (DE) | 2012-02-29 | — | — | EP | disclosed |
| CN-1934132-B | Cyanide tolerant nitrilhydratases | EVONIK DEGUSSA GMBH | 2012-02-29 | — | — | CN | disclosed |
| US-7943359-B2 | Polynucleotides which code for cyanide-tolerant nitrile hydratase and compositions thereof | EVONIK DEGUSSA GMBH (DE) | 2011-05-17 | — | — | US | disclosed |
| CN-1930299-B | Nitrile hydratase of rhodococcus | DEGUSSA | 2011-04-06 | — | — | CN | disclosed |
| US-20100261250-A1 | Cyanide-Tolerant Nitrile Hydratases | OSSWALD STEFFEN | 2010-10-14 | — | — | US | disclosed |
| EP-0441457-B1 | Preparation of higher alkyl esters of carboxylic acids | DOWELANCO (US) | 1996-06-05 | — | — | EP | disclosed |
| EP-0711836-A1 | Method of producing optically active alpha-hydroxy acid or alpha-hydroxyamide | NITTO CHEMICAL INDUSTRY CO., LTD. (JP) | 1996-05-15 | — | — | EP | disclosed |
| US-5326702-A | Hydrolysis of the nitrile | NITTO CHEMICAL INDUSTRY CO., LTD. (JP) | 1994-07-05 | — | — | US | disclosed |
| US-5214150-A | Preparation of higher alkylesters of carboxylic acids | DOWELANCO (US) | 1993-05-25 | — | — | US | disclosed |
| EP-0486289-A2 | Biological process for producing alpha-hydroxyamide or alpha-hydroxy acid | NITTO CHEMICAL INDUSTRY CO., LTD. (JP) | 1992-05-20 | — | — | EP | disclosed |
| EP-0441457-A2 | Preparation of higher alkyl esters of carboxylic acids | DOWELANCO (US) | 1991-08-14 | — | — | 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 |
| US-4486600-A | Process for the production of β-hydroxy-α-aminocarboxylic acids | DEGUSSA AKTIENGESELLSCHAFT (DE) | 1984-12-04 | — | — | US | disclosed |
| US-4482760-A | HYDROGENATING A CYANOHYDRIN | DEGUSSA AKTIENGESELLSCHAFT (DE) | 1984-11-13 | — | — | 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 |