SCHEMBL9863249

SCHEMBL9863249

Cc1ccccc1C(C)(C)C.N=C=O.N=C=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.47
GABRB2 P47870 1/20 0.47
TSHR P16473 4/20 0.41
ALDH1A1 P00352 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
CA2 P00918 2/20 0.38
ACHE P22303 2/20 0.38
CASR P41180 1/20 0.33
NLRP3 Q96P20 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KIF11 P52732 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
CA1 P00915 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
RBP4 P02753 1/20 0.31

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
SCHEMBL30407772 0.86 GABRA1 (0.58) GABRA1GABRB2TSHRALDH1A1TDP1
SCHEMBL542212 0.86 GABRA1 (0.58) GABRA1GABRB2TSHRALDH1A1TDP1
SCHEMBL5496813 0.86 GABRA1 (0.58) GABRA1GABRB2TSHRALDH1A1TDP1
Hydrogen Sulfide SCHEMBL28327303 0.84 GABRA1 (0.56) GABRA1GABRB2TSHRALDH1A1TDP1
Ammonia Solution, Strong SCHEMBL9177132 0.84 GABRA1 (0.56) GABRA1GABRB2TSHRALDH1A1TDP1
SCHEMBL1483791 0.83 GABRA1 (0.48) GABRA1GABRB2TSHRALDH1A1TDP1
SCHEMBL472173 0.83 GABRA1 (0.48) GABRA1GABRB2TSHRALDH1A1TDP1
SCHEMBL28244087 0.80 ESR1 (0.41) GABRA1GABRB2TSHRALDH1A1ACHE
SCHEMBL430195 0.80 ESR1 (0.41) GABRA1GABRB2TSHRALDH1A1ACHE
Bicarbonate SCHEMBL27556882 0.80 GABRA1 (0.54) GABRA1GABRB2TSHRALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115763967-A Solid-state battery cell, preparation method and application 北京卫蓝新能源科技有限公司 2023-03-07 CN claimed
CN-114395822-A Preparation method of physical and chemical synergetic super-hydrophobic waterborne polyurethane film 长春工业大学 2022-04-26 CN claimed
CN-113248755-A Preparation method of nano-silica/hydroxyl silane coupling agent composite modified polyurethane super-hydrophobic film 长春工业大学 2021-08-13 CN claimed
CN-112210061-A Preparation method of organic silicon modified castor oil based waterborne polyurethane film 长春工业大学 2021-01-12 CN claimed
CN-109575379-B starch grafted isocyanate modified natural latex condom and preparation method thereof 西南交通大学 2019-12-10 CN claimed
WO-2024140237-A1 SOLID-STATE BATTERY CELL, AND PREPARATION METHOD AND USE 北京卫蓝新能源科技有限公司 2024-07-04 WO disclosed
CN-118176111-A Laminate and method for producing laminate 日本聚乙烯株式会社 2024-06-11 CN disclosed
CN-118139744-A Laminate and method for producing laminate 日本聚乙烯株式会社 2024-06-04 CN disclosed
CN-115763967-A Solid-state battery cell, preparation method and application 北京卫蓝新能源科技有限公司 2023-03-07 CN disclosed
CN-115084647-A Preparation method of solid electrolyte prepared by in-situ self-polymerization of isocyanate and application of solid electrolyte in-situ solid battery 北京卫蓝新能源科技有限公司 2022-09-20 CN disclosed
CN-113544223-A Water-based ink composition for ballpoint pen 三菱铅笔株式会社 2021-10-22 CN disclosed
CN-109535431-B Starch grafted polyurethane polymer, preparation method thereof and application thereof in biodegradable condom 西南交通大学 2020-07-28 CN disclosed
CN-101835744-B Curable alkoxycarbonylamino compositions, coatings, and methods BASF SE 2014-02-26 CN disclosed
CN-103226298-A Toner and image forming apparatus RICOH CO LTD 2013-07-31 CN disclosed
CN-101835744-A Curable alkoxycarbonylamino compositions, coatings, and methods BASF CORP 2010-09-15 CN disclosed
EP-0244778-B1 MONO-TERTIARY-ALKYLATED TOLUENEDIISO-CYANATES AND DERIVATIVES AIR PRODUCTS AND CHEMICALS, INC. (US) 1991-10-16 EP disclosed
EP-0283868-A2 Process for producing polyurethane/urea elastomers AIR PRODUCTS AND CHEMICALS, INC. (US) 1988-09-28 EP disclosed
US-4724256-A REACTING AROMATIC DIISOCYANATE AND ALIPHATIC POLYOL, CONTROLLING TEMPERATURE AND TIME TO PRODUCE ONE URETHANE LINKAGE AIR PRODUCTS AND CHEMICALS, INC. (US) 1988-02-09 US disclosed
US-4722989-A URETHANE-LINKED TOLUENEDIISOCYANATE, DIAMINE CHAIN EXTENSION AIR PRODUCTS AND CHEMICALS, INC. (US) 1988-02-02 US disclosed
EP-0244778-A1 Mono-tertiary-alkylated toluenediiso-cyanates and derivatives AIR PRODUCTS AND CHEMICALS, INC. (US) 1987-11-11 EP disclosed