SCHEMBL105

SCHEMBL105

CS(=O)(=O)O

nearest known ligand 0.00

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

⚠ 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
SCHEMBL8596055 1.00 CA2 (0.58)
SCHEMBL25599 1.00 CA2 (0.58)
SCHEMBL246838 1.00 CA2 (0.58)
SCHEMBL128169 1.00
SCHEMBL15109974 1.00
SCHEMBL429367 0.94
SCHEMBL20570028 0.94
SCHEMBL8729088 0.94
SCHEMBL20570964 0.94
SCHEMBL21641627 0.94 CA2 (0.54)

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 766428 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6432401-B1 None US claimed
US-6417382-B1 None US claimed
US-9975831-B2 Method for producing ether compound TAKASAGO INTERNATIONAL CORPORATION (JP) 2018-05-22 US claimed
US-9975847-B2 Amino acid derivatives and their uses JOHNSON & JOHNSON CONSUMER INC. (US) 2018-05-22 US claimed
US-9975850-B2 Process for the manufacture of idalopirdine via hydrogenation of an imine H. LUNDBECK A/S (DK) 2018-05-22 US claimed
US-20180134641-A1 Process for the Preparation of Limonene-4-ol BASF CHEMICALS INDIA PVT. LTD. (IN) 2018-05-17 US claimed
WO-2018086139-A1 CONJUGATION LINKERS, CELL BINDING MOLECULE-DRUG CONJUGATES CONTAINING THE LIKERS, METHODS OF MAKING AND USES SUCH CONJUGATES WITH THE LINKERS HANGZHOU DAC BIOTECH CO., LTD (CN) 2018-05-17 WO claimed
US-20180134819-A1 METHOD FOR PRODUCING POLYMER FOR ELECTRONIC MATERIAL AND POLYMER FOR ELECTRONIC MATERIAL OBTAINED BY THE PRODUCTION METHOD MARUZEN PETROCHEMICAL CO., LTD. (JP) 2018-05-17 US claimed
US-20180135894-A1 ABSORPTION HEAT PUMP AND SORBENT FOR AN ABSORPTION HEAT PUMP COMPRISING METHANESULFONIC ACID EVONIK DEGUSSA GMBH (DE) 2018-05-17 US claimed
US-20180136216-A1 Biomarkers for a Combination Therapy Comprising Lenvatinib and Everolimus EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-05-17 US claimed
US-3954886-A Alkali stable polyoxyethylene acetal surfactants BASF WYANDOTTE CORPORATION (US) 1976-05-04 US claimed
US-3953459-A Process for the preparation of 2,2,6,6-tetramethyl-4-oxopiperidine CIBA-GEIGY CORPORATION (US) 1976-04-27 US claimed
US-3950408-A Process for preparing [1-oxo-2-cyclopentyl (or 2-isopropyl)-2-methyl-6,7-dichloro-5-indanyloxy] acetic acid MERCK & CO., INC. (US) 1976-04-13 US claimed
US-3948995-A Process for converting alkylaromatic hydroperoxides into phenolic products and carbonyl products RHONE-POULENC-TEXTILE (FR) 1976-04-06 US claimed
US-3947490-A Process for preparing omega-formyloxy-alkanals RHONE-POULENC S.A. (FR) 1976-03-30 US claimed
US-3944545-A Process for preparing desacetoxycephalosporins ELI LILLY AND COMPANY (US) 1976-03-16 US claimed
US-3943137-A ANTITUMOR UNIVERSITY OF KANSAS ENDOWMENT ASSOCIATION (US) 1976-03-09 US claimed
US-3943134-A FROM ACETONE AND AMMONIA, AMMONIUM HALIDE CATALYST SANKYO COMPANY LIMITED (JA) 1976-03-09 US claimed
US-3936451-A Process for producing salts of hexamethylenetetramine UNITED STATES PIPE AND FOUNDRY COMPANY (US) 1976-02-03 US claimed
US-3935216-A Preparation of toluoyl-5-pyrryl-2-acetonitrile ETHYL CORPORATION (US) 1976-01-27 US claimed