SCHEMBL3371

SCHEMBL3371

FC(F)(F)c1c[c]ccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPK1 P28482 1/20 0.38
KIF11 P52732 5/20 0.36
IDO1 P14902 3/20 0.35
CES2 O00748 2/20 0.34
MGLL Q99685 1/20 0.34
TAAR1 Q96RJ0 1/20 0.32
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
HTR3A P46098 1/20 0.31
HTR3D Q70Z44 1/20 0.31
HTR3C Q8WXA8 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
TRPV6 Q9H1D0 2/20 0.30
CES1 P23141 1/20 0.30
ORAI1 Q96D31 1/20 0.30
ORAI2 Q96SN7 1/20 0.30

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
Water SCHEMBL27821326 1.00 TSHR (0.48) TSHRALDH1A1MAPK1KIF11IDO1
SCHEMBL20526431 0.98 TSHR (0.46) TSHRALDH1A1MAPK1KIF11IDO1
SCHEMBL3889885 0.98 TSHR (0.46) TSHRALDH1A1MAPK1KIF11IDO1
SCHEMBL3890730 0.98 TSHR (0.46) TSHRALDH1A1MAPK1KIF11IDO1
Benzene SCHEMBL8005754 0.98 TSHR (0.52) TSHRALDH1A1MAPK1KIF11IDO1
SCHEMBL3891340 0.98 TSHR (0.46) TSHRALDH1A1MAPK1KIF11IDO1
SCHEMBL28824905 0.98 TSHR (0.46) TSHRALDH1A1MAPK1KIF11IDO1
Magnesium Chloride Anhydrous SCHEMBL28042560 0.91 TSHR (0.41) TSHRALDH1A1MAPK1KIF11IDO1
SCHEMBL20838399 0.91 TSHR (0.41) TSHRALDH1A1MAPK1KIF11IDO1
SCHEMBL28473627 0.91 TSHR (0.41) TSHRALDH1A1MAPK1KIF11IDO1

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

Appears in 19854 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239821-A1 N-ACYL FOSMIDOMYCIN PRODRUG ANALOGS AS NOVEL ANTIINFECTIVE AGENTS THE GEORGE WASHINGTON UNIVERSITY 2024-07-18 US claimed
US-20240239755-A1 SUBSTITUTED PYRIDAZINONES, SALTS OR N-OXIDES THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2024-07-18 US claimed
CN-118344695-A Hydroxyl-enriched cycloolefin copolymer long afterglow material and application thereof 重庆理工大学 2024-07-16 CN claimed
CN-118344355-A Quinazolinone derivative, preparation method thereof and application thereof in anti-inflammatory and anti-tumor 贵州省天然产物研究中心 2024-07-16 CN claimed
CN-118324615-A Preparation method of novel polyfluoroalkyl-substituted olefin 华中师范大学 2024-07-12 CN claimed
CN-118290434-A Spiropiperidine derivative containing alpha-methylene-gamma-butyrolactone, preparation method and application thereof 南开大学 2024-07-05 CN claimed
US-20240217913-A2 PREPARATION OF SUBSTITUTED ACRYLATE COMPOUND HUA MEDICINE (SHANGHAI) LTD. (CN) 2024-07-04 US claimed
CN-118265702-A Microbiocidal isonicotinamide derivatives 先正达农作物保护股份公司 2024-06-28 CN claimed
WO-2024132895-A1 MICROBIOCIDAL DIHYDROOXADIAZINYL PYRIDAZINONE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2024-06-27 WO claimed
US-20240208902-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-06-27 US claimed
US-3981715-A 2,3,5-Substituted-6-trifluoromethyl-1,3-diazin-4-ones herbicides AMERICAN CYANAMID COMPANY (US) 1976-09-21 US claimed
US-3978055-A SEDATIVE, ANTIINFLAMMATORY, VASODILATION, BRONCHODILATION DELALANDE S.A. (FR) 1976-08-31 US claimed
US-3973010-A Insecticidal and acaricidal composition and method with triazolyl phosphoric esters acid CIBA-GEIGY CORPORATION (US) 1976-08-03 US claimed
US-3966921-A NEMATOCIDES CIBA-GEIGY CORPORATION (US) 1976-06-29 US claimed
US-3956306-A PESTICIDES CIBA-GEIGY CORPORATION (US) 1976-05-11 US claimed
US-3956296-A ANTIINFLAMMATORY, SEDATIVES, TRANQUILIZERS A. H. ROBINS COMPANY, INCORPORATED (US) 1976-05-11 US claimed
US-3951968-A DIURETIC, SEDATIVE, ANTIULCER, ANTIINFLAMMATORY, CARDIAC ANALEPTIC DELALANDE S.A. (FR) 1976-04-20 US claimed
US-3947447-A CENTRAL NERVOUS SYSTEM DEPRESSANT, ANTICONVULSANT, MUSCLE RELAXANT, HYPOTENSIVE AMERICAN HOECHST CORPORATION (US) 1976-03-30 US claimed
US-3939162-A Anthrapyrimidine dyes BASF AKTIENGESELLSCHAFT (DT) 1976-02-17 US claimed
US-3932629-A Triazolyl phosphorus esters as pesticides CIBA-GEIGY CORPORATION (US) 1976-01-13 US claimed