SCHEMBL129299

SCHEMBL129299

[CH2]CC(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
Water SCHEMBL11043953 0.76 CYP2D6 (0.39)
SCHEMBL292640 0.76
SCHEMBL3629035 0.74
SCHEMBL3626628 0.74
Hydrochloric Acid SCHEMBL291564 0.73
SCHEMBL128356 0.73
SCHEMBL47719 0.71
SCHEMBL24591379 0.71
SCHEMBL4322403 0.71
SCHEMBL20988026 0.69 GRM4 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3849664-B1 PHENOXY-PYRIDYL-PYRIMIDINE COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2024-06-12 EP claimed
US-20230057166-A1 PHENOXY-PYRIDYL-PYRIMIDINE COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2023-02-23 US claimed
EP-3849664-A1 PHENOXY-PYRIDYL-PYRIMIDINE COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2021-07-21 EP claimed
CN-109897059-B Synthetic method of lithium battery auxiliary agent 3-cyanopropyl dimethyl fluorosilane 山东东岳有机硅材料股份有限公司 2021-05-18 CN claimed
CN-112739420-A Phenoxy-pyridyl-pyrimidine compounds and methods of use 基因泰克公司 2021-04-30 CN claimed
WO-2020056089-A1 PHENOXY-PYRIDYL-PYRIMIDINE COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2020-03-19 WO claimed
US-20060079554-A1 Inhibitors of monomine uptake ELI LILLY AND COMPANY 2006-04-13 US claimed
EP-1569905-A2 INHIBITORS OF MONOAMINE UPTAKE ELI LILLY AND COMPANY (US) 2005-09-07 EP claimed
WO-2004052858-A2 INHIBITORS OF MONOAMINE UPTAKE ELI LILLY AND COMPANY (US) 2004-06-24 WO claimed
EP-3849664-B1 PHENOXY-PYRIDYL-PYRIMIDINE COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2024-06-12 EP disclosed
US-20230057166-A1 PHENOXY-PYRIDYL-PYRIMIDINE COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2023-02-23 US disclosed
EP-4003355-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2022-06-01 EP disclosed
EP-3849664-A1 PHENOXY-PYRIDYL-PYRIMIDINE COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2021-07-21 EP disclosed
CN-109897059-B Synthetic method of lithium battery auxiliary agent 3-cyanopropyl dimethyl fluorosilane 山东东岳有机硅材料股份有限公司 2021-05-18 CN disclosed
US-5108595-A Rehydroxylating with water and hydrogen fluoride or a basic activator E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-04-28 US disclosed
EP-0221780-B1 POROUS SILICA MICROSPHERES HAVING SILANOL-ENRICHED AND SILANIZED SURFACES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-10-09 EP disclosed
US-5032266-A Chromatography E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-07-16 US disclosed
US-4874518-A CHROMATOGRAPHY E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-10-17 US disclosed
EP-0221780-A2 Porous silica microspheres having silanol-enriched and silanized surfaces E.I. DU PONT DE NEMOURS AND COMPANY (US) 1987-05-13 EP disclosed
US-4160775-A FROM HYDROSILOXANES AND METHALLYL COMPOUNDS UNION CARBIDE CORPORATION (US) 1979-07-10 US disclosed