SCHEMBL8331

SCHEMBL8331

[C]#CCCC

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
SCHEMBL15153355 0.96
SCHEMBL27560175 0.87
Magnesium Chloride Anhydrous SCHEMBL27560182 0.87
SCHEMBL28098515 0.82
SCHEMBL7830 0.77
SCHEMBL28125180 0.76
SCHEMBL386044 0.73
SCHEMBL1613181 0.72 TSHR (0.50)
SCHEMBL384472 0.72 TSHR (0.50)
SCHEMBL38699 0.72

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

Appears in 32574 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240199542-A1 SUBSTITUTED PYRROLIDIN-2-ONES, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2024-06-20 US claimed
US-20240190875-A1 SPIROINDOLINE DERIVATIVE, AND PREPARATION METHOD AND MEDICAL USE THEREOF CHANGCHUN GENESCIENCE PHARMACEUTICAL CO., LTD. (CN) 2024-06-13 US claimed
US-20240131040-A1 COMPOSITIONS AND METHODS RELATED TO CANNABINOID ANIONS Natural Extraction Systems, LLC (US) 2024-04-25 US claimed
WO-2024078906-A1 SUBSTITUTED N-PHENYLURACILS AND SALTS THEREOF, AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2024-04-18 WO claimed
EP-4353082-A1 HERBICIDAL COMPOSITIONS Bayer Aktiengesellschaft (DE) 2024-04-17 EP claimed
EP-4313943-A1 SUBSTITUTED PYRROLIDIN-2-ONES, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2024-02-07 EP claimed
CN-114391013-B IRAK inhibitor and preparation method and application thereof 上海美悦生物科技发展有限公司 2024-01-26 CN claimed
US-20240025862-A1 SUBSTITUTED N-PHENYLURACILS AND SALTS THEREOF, AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2024-01-25 US claimed
WO-2024015949-A2 METHODS AND COMPOSITIONS FOR PPO HERBICIDE TOLERANCE MONSANTO TECHNOLOGY LLC (US) 2024-01-18 WO claimed
CN-117157295-A Indoline-containing spiro derivative, preparation method and medical application thereof 长春金赛药业有限责任公司 2023-12-01 CN claimed
US-5329035-A Biosynthesis of prostaglandins TEIJIN LIMITED (JP) 1994-07-12 US claimed
US-5258509-A Catalytic detherification and alkylation BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-11-02 US claimed
EP-0520336-A2 Aldehyde derivatives and their use as calpain inhibitors FUJIREBIO Inc. (JP) 1992-12-30 EP claimed
EP-0247740-B1 NOVEL ISOCARBACYCLINS AND PROCESSES FOR PRODUCTION THEREOF TEIJIN LIMITED (JP) 1990-09-26 EP claimed
EP-0178139-B1 PROCESS FOR PRODUCING 2,3-DISUBSTITUTED -4-SUBSTITUTED CYCLOPENTANONES, ENANTIOMORPHS, OR MIXTURES THEREOF TEIJIN LIMITED (JP) 1989-07-05 EP claimed
US-4820836-A ANTICOAGULANTS, ANTIULCER AGENTS SHIONOGI & CO., LTD. (JP) 1989-04-11 US claimed
EP-0137456-B1 DERIVATIVES OF PYRIDINE, PYRAZINE AND PYRIMIDINE AND THEIR USE AS FUNGICIDAL AGENTS F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1988-02-10 EP claimed
EP-0247740-A2 Novel isocarbacyclins and processes for production thereof TEIJIN LIMITED (JP) 1987-12-02 EP claimed
EP-0178139-A2 Process for producing 2,3-disubstituted -4-substituted cyclopentanones, enantiomorphs, or mixtures thereof TEIJIN LIMITED (JP) 1986-04-16 EP claimed
US-4504417-A 15-Deoxy-16-hydroxy-16-substituted prostanoic acids and congeners AMERICAN CYANAMID COMPANY (US) 1985-03-12 US claimed