SCHEMBL163958

SCHEMBL163958

CCOC(=O)C(C)C#N

nearest known ligand 0.00

⚠ 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL30193793 1.00
SCHEMBL18982823 1.00
SCHEMBL363698 0.85
SCHEMBL11565659 0.82 CPB2 (0.46)
SCHEMBL11445756 0.82 HCAR2 (0.36)
SCHEMBL4039984 0.80 ALDH1A1 (0.48)
SCHEMBL11452860 0.79 TSHR (0.43)
SCHEMBL11444885 0.79 ALDH1A1 (0.48)
SCHEMBL1191194 0.78
SCHEMBL8626607 0.78

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 526 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116118292-B Polymorphic fiber reinforced resin-based bionic composite material for splicing and preparation method thereof 沈阳工业大学 2025-06-24 CN claimed
CN-120192272-A Preparation method of benzoxazole intermediate 帕潘纳(北京)科技有限公司 2025-06-24 CN claimed
US-20250059132-A1 METHOD FOR PREPARING 2-SUBSTITUTED ARYLACETONITRILE COMPOUND AND APPLICATION THEREOF MAXUNITECH INC (CN) 2025-02-20 US claimed
CN-114044743-B Preparation method of ethyl 2-cyanopropionate 西安凯立新材料股份有限公司 2023-10-17 CN claimed
CN-116118292-A Polymorphic fiber reinforced resin-based bionic composite material for splicing and preparation method thereof 沈阳工业大学 2023-05-16 CN claimed
CN-114957234-A Triazole-containing phenyloxadiazole derivative and preparation method and application thereof 浙江工业大学 2022-08-30 CN claimed
CN-114044743-A Preparation method of ethyl 2-cyanopropionate 西安凯立新材料股份有限公司 2022-02-15 CN claimed
EP-1059286-A1 Optical resolution of aminoisobutyric acid ELI LILLY AND COMPANY (US) 2000-12-13 EP claimed
JP-2080476-A None JP disclosed
EP-4747258-A2 COMPOUNDS, COMPOSITIONS, AND METHODS Tenvie Therapeutics, Inc. (US) 2026-05-27 EP disclosed
US-12637461-B2 Compounds for the activation of AMPK PFIZER INC. (US) 2026-05-26 US disclosed
US-20260125364-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER (US) 2026-05-07 US disclosed
EP-3684773-B1 THAILANSTATIN ANALOGS PH PHARMA CO LTD (KR) 2026-04-29 EP disclosed
US-12545672-B2 Antibiotic compounds, methods of manufacturing the same, pharmaceutical compositions containing the same and uses thereof DEBIOPHARM INTERNATIONAL S.A. (CH) 2026-02-10 US disclosed
US-4000294-A DIURESIS OR SALURESIS BAYER AKTIENGESELLSCHAFT (DT) 1976-12-28 US disclosed
US-4000156-A HYDROGENATION, METHYLATION WITH PARAFORMALDEHYDE AGFA-GEVAERT N.V. (BE) 1976-12-28 US disclosed
US-3992404-A DIURETICS, SALURETICS, ANTIHYPERTENSIVE AGENTS, AND ANTITHROMBOTIC AGENTS BAYER AKTIENGESELLSCHAFT (DT) 1976-11-16 US disclosed
US-3978077-A DIURETIC, HYPOTENSIVE, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (GB) 1976-08-31 US disclosed
US-3957814-A DIURETICS, SALURETICS, HYPOTENSIVE AGENTS, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (DT) 1976-05-18 US disclosed
US-3952008-A DIURETIC, SALURETIC, HYPOTENSIVE, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (DT) 1976-04-20 US disclosed