SCHEMBL97616

SCHEMBL97616

CCCCC1CC1

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
SCHEMBL5691762 1.00 CYP1A2 (0.74)
Ammonia Solution, Strong SCHEMBL28122694 0.97 CYP1A2 (0.70)
Ammonia Solution, Strong SCHEMBL266627 0.97
SCHEMBL10568311 0.97 CYP1A2 (0.70)
Water SCHEMBL17800056 0.97
SCHEMBL10568305 0.97 CYP1A2 (0.70)
Iodide SCHEMBL8824339 0.97
Bromide SCHEMBL9836407 0.97
SCHEMBL10569310 0.94 CYP1A2 (0.67)
Methyl Alcohol SCHEMBL2872344 0.94

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240131040-A1 COMPOSITIONS AND METHODS RELATED TO CANNABINOID ANIONS Natural Extraction Systems, LLC (US) 2024-04-25 US claimed
WO-2023197658-A1 LIGHT-EMITTING DEVICE, PREPARATION METHOD FOR LIGHT-EMITTING DEVICE, AND DISPLAY APPARATUS TCL科技集团股份有限公司 2023-10-19 WO claimed
WO-2023141852-A1 CDK2 INHIBITORS, PREPARATION METHOD THEREFOR AND USE THEREOF 益方生物科技(上海)股份有限公司 2023-08-03 WO claimed
US-20230089351-A1 METHODS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES Natural Extraction Systems, LLC (US) 2023-03-23 US claimed
US-20230073802-A1 COMPOSITIONS AND METHODS RELATED TO CANNABINOID ANIONS Natural Extraction Systems, LLC (US) 2023-03-09 US claimed
US-20220387351-A1 Compositions and Methods Related to Organic Oxides Natural Extraction Systems, LLC 2022-12-08 US claimed
US-20220387376-A1 Compositions Comprising Cannabinoid Molecules that are Dissolved in Water-Miscible Solvents NATURAL EXTRACTION SYS LLC (US) 2022-12-08 US claimed
WO-2022026960-A1 COMPOSITIONS AND METHODS RELATED TO EXCIPIENTS AND CANNABINOID FORMULATIONS Natural Extraction Systems, LLC (US) 2022-02-03 WO claimed
US-20210360947-A1 COMPOSITIONS AND METHODS RELATED TO EXCIPIENTS AND CANNABINOID FORMULATIONS Natural Extraction Systems, LLC 2021-11-25 US claimed
WO-2021158573-A1 METHODS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES Natural Extraction Systems, LLC (US) 2021-08-12 WO claimed
EP-1054871-A2 PYRIMIDINES AND TRIAZINES AS INTEGRIN ANTAGONISTS Du Pont Pharmaceuticals Company (US) 2000-11-29 EP claimed
WO-1999067247-A1 PYRAZOLO[1,5-a]TRIAZINE CORTICOTROPIN RELEASING FACTOR ANTAGONISTS DU PONT PHARMACEUTICALS COMPANY (US) 1999-12-29 WO claimed
WO-1999050249-A2 PYRIMIDINES AND TRIAZINES AS INTEGRIN ANTAGONISTS DU PONT PHARMACEUTICALS COMPANY (US) 1999-10-07 WO claimed
EP-0295880-B1 Substituted cyclic ketones, substituted cyclic enones, and process for producing the same NISSAN CHEMICAL IND LTD (JP) 1999-01-07 EP claimed
EP-0255379-B1 Optically active alcohols, process for producing the same, and process for resolving the same NISSAN CHEMICAL IND LTD (JP) 1995-11-15 EP claimed
US-5380900-A α-methylenecyclopentanone derivative and process for producing the same NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1995-01-10 US claimed
US-5041559-A Having epoxy and silyl groups NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1991-08-20 US claimed
US-5037855-A Silane group containing, chemical intermediates NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1991-08-06 US claimed
US-4902812-A Optically active alcohols, process for producing the same, and process for resolving the same NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1990-02-20 US claimed
US-4496745-A Epoxycarbacyclin derivatives, their preparation and use SANKYO COMPANY, LIMITED (JP) 1985-01-29 US claimed