SCHEMBL6535587

SCHEMBL6535587

C=Cc1[nH]cc[n+]1C.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
SCHEMBL3651159 0.88
SCHEMBL248445 0.87
Sulfuric Acid SCHEMBL8415722 0.74
SCHEMBL6568408 0.73
SCHEMBL193348 0.73
Water SCHEMBL15295406 0.72
Sulfuric Acid SCHEMBL8777499 0.71
SCHEMBL7135357 0.70 CA2 (0.30)
Sulfuric Acid SCHEMBL30240028 0.69
SCHEMBL193629 0.68 CA2 (0.33)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1093417-A4 PROCESSLESS DIRECT WRITE IMAGING MEMBER CONTAINING POLYMER GRAFTED CARBON AND METHODS OF IMAGING AND PRINTING KODAK POLYCHROME GRAPHICS CO (US) 2004-07-14 EP disclosed
WO-2003010600-A2 METHOD AND SYSTEM FOR DIRECT-TO-PRESS IMAGING KODAK POLYCHROME GRAPHICS LLC (US) 2003-02-06 WO disclosed
EP-1093417-A1 PROCESSLESS DIRECT WRITE IMAGING MEMBER CONTAINING POLYMER GRAFTED CARBON AND METHODS OF IMAGING AND PRINTING Kodak Polychrome Graphics Company Ltd. (US) 2001-04-25 EP disclosed
WO-2000063025-A1 PROCESSLESS DIRECT WRITE IMAGING MEMBER CONTAINING POLYMER GRAFTED CARBON AND METHODS OF IMAGING AND PRINTING KODAK POLYCHROME GRAPHICS COMPANY LTD. (US) 2000-10-26 WO disclosed