Water

Water

SCHEMBL660657

CS(=O)(=O)O.O

nearest known ligand 0.00

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of Water. 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
Water SCHEMBL5809985 1.00
Water SCHEMBL11750618 1.00 CA2 (0.54)
Water SCHEMBL1697235 1.00 CA2 (0.54)
Water SCHEMBL9333419 1.00
Water SCHEMBL7032487 1.00 CA2 (0.54)
Water SCHEMBL1120078 1.00
Water SCHEMBL8140555 1.00 CA2 (0.54)
Water SCHEMBL22581621 0.95
Water SCHEMBL22581609 0.95
Water SCHEMBL10342957 0.95

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12599606-B2 Therapies with 3rd generation EGFR tyrosine kinase inhibitors JANSSEN BIOTECH, INC. (US) 2026-04-14 US claimed
EP-4716538-A1 METHODS FOR TREATMENT OF NON-SMALL CELL LUNG CANCER (NSCLC) Janssen Biotech, Inc. (US) 2026-04-01 EP claimed
WO-2026042017-A1 AMIVANTAMAB IN COMBINATION WITH LAZERTINIB FOR THE TREATMENT OF NON-SMALL CELL LUNG CANCER (NSCLC) JANSSEN BIOTECH, INC. (US) 2026-02-26 WO claimed
WO-2026041980-A1 METHODS FOR TREATMENT OF NON-SMALL CELL LUNG CANCER (NSCLC) JANSSEN BIOTECH, INC. (US) 2026-02-26 WO claimed
US-12558345-B2 CHK1/2 inhibitors for use in the treatment of neuroblastomas and/or soft tissue sarcomas ELI LILLY AND COMPANY (US) 2026-02-24 US claimed
US-20260048065-A1 METHODS FOR TREATMENT OF NON-SMALL CELL LUNG CANCER (NSCLC) JANSSEN BIOTECH INC (US) 2026-02-19 US claimed
CN-119677539-A Combination therapy for modulating lipid production 俄亥俄州创新基金会 2025-03-21 CN claimed
WO-2025052273-A1 METHODS OF TREATING NON-SMALL CELL LUNG CANCER JANSSEN BIOTECH, INC. (US) 2025-03-13 WO claimed
CN-119497614-A Compositions and formulations for preventing, treating and ameliorating skin diseases, conditions and disorders using PK inhibitors 德慕拜昂生物科技公司 2025-02-21 CN claimed
US-12227510-B2 Crystal form of acid addition salt of furopyrimidine compound HANMI PHARM. CO., LTD. (KR) 2025-02-18 US claimed
US-20050124631-A1 Inhibitors of polyq-aggregation MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2005-06-09 US claimed
EP-1416931-A1 INHIBITORS OF POLYQ-AGGREGATION Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2004-05-12 EP claimed
WO-2003015772-A1 INHIBITORS OF POLYQ-AGGREGATION MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2003-02-27 WO claimed
CN-1384829-A sodium-hydrogen exchanger type 1 inhibitor crystal PFIZER PROD INC (US) 2002-12-11 CN claimed
CN-1093759-C Protein kinase C inhibitors LILLY CO ELI (US) 2002-11-06 CN claimed
CN-1223261-A Novel 2-thiocarbpenems AMERICAN CYANAMID CO (US) 1999-07-21 CN claimed
WO-1997033580-A1 MAINTAINING KIDNEY FUNCTION DURING SURGERY OR TRAUMA BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 1997-09-18 WO claimed
WO-1997018809-A1 PROTEIN KINASE C INHIBITOR ELI LILLY AND COMPANY (US) 1997-05-29 WO claimed
CN-1104214-A Novel 2-thiocarbpenems AMERICAN CRANAMID COMPANY (US) 1995-06-28 CN claimed
CN-1047494-A 2-amino-1,2,3,4-tetralin compounds that new 8-replaces ASTRA AB (SE) 1990-12-05 CN claimed