SCHEMBL246310

SCHEMBL246310

C=C(C)CP(=O)(OCC)OCC

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
PPARD Q03181 2/20 0.48
TP53 P04637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
BTN3A1 O00481 1/20 0.35
MAPT P10636 2/20 0.34
MAPK1 P28482 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL735674 0.83 TSHR (0.52) TSHRPPARDTP53TDP1MAPT
SCHEMBL11785937 0.83 TSHR (0.52) TSHRPPARDTP53TDP1CA12
SCHEMBL8643733 0.82 TSHR (0.57) TSHRPPARDTP53TDP1MAPT
SCHEMBL11743230 0.82 BTN3A1 (0.37) TSHRPPARDBTN3A1MEN1KMT2A
SCHEMBL10490232 0.81 TSHR (0.42) TSHRPPARDTP53TDP1BTN3A1
SCHEMBL9605287 0.79 TSHR (0.48) TSHRPPARDTP53TDP1CA12
SCHEMBL16978353 0.78 TSHR (0.39) TSHRPPARDTP53TDP1MAPT
SCHEMBL246813 0.78 TSHR (0.52) TSHRPPARDTP53TDP1MAPT
SCHEMBL2456739 0.77 PPARD (0.56) TSHRPPARDTP53TDP1BTN3A1
SCHEMBL14615998 0.77 TSHR (0.41) TSHRPPARDTP53TDP1MAPT

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-111039770-B Type (E) solanone, preparation method and application thereof 云南中烟工业有限责任公司 2022-03-25 CN claimed
EP-3954675-A1 Z-TYPE SOLANONE, PREPARATION METHOD THEREFOR, AND USE China Tobacco Yunnan Industrial Co., Ltd (CN) 2022-02-16 EP claimed
EP-2545583-B1 METHODS AND COMPOSITIONS FOR DOPING SILICON SUBSTRATES WITH MOLECULAR MONOLAYERS VERSUM MAT US LLC (US) 2020-05-13 EP claimed
US-20120003826-A1 METHODS AND COMPOSITIONS FOR DOPING SILICON SUBSTRATES WITH MOLECULAR MONOLAYERS VERSUM MATERIALS US, LLC 2012-01-05 US claimed
WO-2011112546-A1 METHODS AND COMPOSITIONS FOR DOPING SILICON SUBSTRATES WITH MOLECULAR MONOLAYERS DYNALOY, LLC (US) 2011-09-15 WO claimed
EP-4707808-A2 SUPERPARAMAGNETIC AND HIGHLY POROUS POLYMER PARTICLES FOR DIAGNOSTIC APPLICATIONS Roche Diagnostics GmbH (DE) 2026-03-11 EP disclosed
EP-3954675-B1 PREPARATION METHOD FOR Z-TYPE SOLANONE CHINA TOBACCO YUNNAN IND CO LTD (CN) 2024-03-27 EP disclosed
US-20230381743-A1 METHOD FOR PREPARING HIGHLY POROUS POLYMER PARTICLES FOR DIAGNOSTIC APPLICATIONS ROCHE DIAGNOSTICS OPERATIONS, INC. 2023-11-30 US disclosed
US-11724246-B2 Method for preparing highly porous polymer particles for diagnostic applications ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2023-08-15 US disclosed
CN-111039770-B Type (E) solanone, preparation method and application thereof 云南中烟工业有限责任公司 2022-03-25 CN disclosed
EP-3954675-A1 Z-TYPE SOLANONE, PREPARATION METHOD THEREFOR, AND USE China Tobacco Yunnan Industrial Co., Ltd (CN) 2022-02-16 EP disclosed
US-8835290-B2 Methods and compositions for doping silicon substrates with molecular monolayers DYNALOY, LLC (US) 2014-09-16 US disclosed
WO-2011112546-A1 METHODS AND COMPOSITIONS FOR DOPING SILICON SUBSTRATES WITH MOLECULAR MONOLAYERS DYNALOY, LLC (US) 2011-09-15 WO disclosed
US-5686434-A PHOSPHODIESTERASE TYPE IV INHIBITORS PFIZER INC. (US) 1997-11-11 US disclosed
EP-0730587-A1 3-ARYL-2-ISOXAZOLINES AS ANTIINFLAMMATORY AGENTS PFIZER INC. (US) 1996-09-11 EP disclosed
WO-1995014680-A1 3-ARYL-2-ISOXAZOLINES AS ANTIINFLAMMATORY AGENTS PFIZER INC. (US) 1995-06-01 WO disclosed
US-5147955-A PHOSPHORUS CONTAINING POLYMERS BAYER AKTIENGESELLSCHAFT (DE) 1992-09-15 US disclosed
EP-0468324-A1 Phosphor containing polymers BAYER AG (DE) 1992-01-29 EP disclosed
EP-0443166-A1 Acrylonitril(co)polymers containing phosphonic esters BAYER AG (DE) 1991-08-28 EP disclosed
US-4017564-A NICKEL OR COBALT CATALYST BAYER AKTIENGESELLSCHAFT (DT) 1977-04-12 US disclosed