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) —
SCHEMBL246838 1.00 CA2 (0.58) —
SCHEMBL128169 1.00 — —
SCHEMBL15109974 1.00 — —
SCHEMBL25599 1.00 CA2 (0.58) —
SCHEMBL10855525 0.94 — —
SCHEMBL20570028 0.94 — —
SCHEMBL3365970 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
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