SCHEMBL7103399

SCHEMBL7103399

N=C=O.Oc1ccc(Cc2ccc(O)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.70
ESR2 Q92731 2/20 0.70
PTPN1 P18031 1/20 0.46
KEAP1 Q14145 1/20 0.45
CA2 P00918 4/20 0.44
CAMK2A Q9UQM7 1/20 0.44
ABAT P80404 1/20 0.44
CYP3A4 P08684 2/20 0.43
TSHR P16473 1/20 0.43
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
SLC6A2 P23975 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTR3A P46098 1/20 0.41
BACE1 P56817 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL2969737 0.84 ESR1 (1.00) ESR1ESR2PTPN1KEAP1CA2
SCHEMBL36454 0.84 ESR1 (1.00) ESR1ESR2PTPN1KEAP1CA2
Hydroquinone SCHEMBL30166046 0.84 CA3 (0.57) ESR1ESR2CA2ABATCYP3A4
Formaldehyde SCHEMBL6014338 0.81 ESR1 (0.82) ESR1ESR2PTPN1KEAP1CA2
Bicarbonate SCHEMBL10694381 0.79 ESR1 (0.78) ESR1ESR2PTPN1KEAP1CA2
SCHEMBL910567 0.77 ESR1 (0.57) ESR1ESR2KEAP1CA2CAMK2A
SCHEMBL10932736 0.77 CALM1 (0.63) PTPN1CA2CYP3A4TSHRCA12
Sulfuric Acid SCHEMBL11854002 0.77 ESR1 (0.74) ESR1ESR2PTPN1KEAP1CA2
SCHEMBL1387883 0.76 ESR1 (0.44) ESR1ESR2CA2CAMK2AABAT
SCHEMBL14261700 0.76 CYP3A4 (0.80) ESR1ESR2PTPN1KEAP1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-63090533-A None JP disclosed
EP-4291611-B1 AQUEOUS EMULSION INCLUDING INTERPENETRATING NETWORK OF SILICON RESIN AND ORGANIC POLYMERS DOW SILICONES CORP (US) 2025-06-04 EP disclosed
US-11976414-B2 Polysiloxane-based water repellants for textiles DOW SILICONES CORPORATION (US) 2024-05-07 US disclosed
EP-4355944-A1 POLYSILOXANE-BASED WATER REPELLANTS FOR TEXTILES Dow Silicones Corporation (US) 2024-04-24 EP disclosed
US-20240102233-A1 POLYSILOXANE-BASED WATER REPELLANTS FOR TEXTILES DOW SILICONES CORPORATION 2024-03-28 US disclosed
CN-117480297-A Polysiloxane-based waterproofing agents for textiles 美国陶氏有机硅公司 2024-01-30 CN disclosed
EP-4291611-A1 AQUEOUS EMULSION INCLUDING INTERPENETRATING NETWORK OF SILICON RESIN AND ORGANIC POLYMERS Dow Silicones Corporation (US) 2023-12-20 EP disclosed
US-11685834-B2 Aqueous emulsion including interpenetrating network of silicon resin and organic polymers DOW SILICONES CORPORATION (US) 2023-06-27 US disclosed
CN-116234957-A Aqueous emulsion comprising interpenetrating network of silicone resin and organic polymer 美国陶氏有机硅公司 2023-06-06 CN disclosed
US-20230125136-A1 AQUEOUS EMULSION INCLUDING INTERPENETRATING NETWORK OF SILICON RESIN AND ORGANIC POLYMERS DOW SILICONES CORPORATION 2023-04-27 US disclosed
WO-2022266566-A1 POLYSILOXANE-BASED WATER REPELLANTS FOR TEXTILES DOW SILICONES CORPORATION (US) 2022-12-22 WO disclosed
EP-1237978-B1 HIGHLY DURABLE OIL/WATER REPELLENTS FOR TEXTILES DU PONT (US) 2003-09-17 EP disclosed
EP-1237978-A1 HIGHLY DURABLE OIL/WATER REPELLENTS FOR TEXTILES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2002-09-11 EP disclosed
WO-2001044339-A1 HIGHLY DURABLE OIL/WATER REPELLENTS FOR TEXTILES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2001-06-21 WO disclosed
JP-S6390533-A SEPARATION OF HYDROGEN MITSUBISHI KASEI CORP 1988-04-21 JP disclosed