SCHEMBL1999849

SCHEMBL1999849

O=[N+]([O-])c1ccccc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 4/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
GPR35 Q9HC97 1/20 0.45
SIRT6 Q8N6T7 1/20 0.44
TSHR P16473 2/20 0.44
CYP3A4 P08684 2/20 0.43
AR P10275 2/20 0.43
POLB P06746 2/20 0.43
CES2 O00748 1/20 0.43
ABCB11 O95342 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
GLA P06280 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
CHRM1 P11229 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL30627320 1.00 ALDH1A1 (0.50) ALDH1A1NPSR1HSD17B10TDP1MEN1
SCHEMBL28870196 0.91 ALDH1A1 (0.48) ALDH1A1NPSR1HSD17B10TDP1GPR35
SCHEMBL27600566 0.91 KMT2A (0.47) ALDH1A1NPSR1HSD17B10TDP1MEN1
Phenol SCHEMBL27431402 0.89 ALDH1A1 (0.47) ALDH1A1NPSR1HSD17B10TDP1MEN1
SCHEMBL6371400 0.84 ALDH1A1 (0.53) ALDH1A1NPSR1HSD17B10TDP1MEN1
Diethanolamine SCHEMBL9028120 0.83 ALDH1A1 (0.46) ALDH1A1NPSR1MEN1KMT2ATSHR
SCHEMBL22345159 0.83 NPSR1 (0.47) ALDH1A1NPSR1HSD17B10TDP1MEN1
SCHEMBL27487606 0.83 HPGD (0.49) ALDH1A1NPSR1HSD17B10TDP1MEN1
SCHEMBL27733344 0.83 ALDH1A1 (0.45) ALDH1A1NPSR1HSD17B10TDP1MEN1
SCHEMBL4253886 0.83 NPSR1 (0.47) ALDH1A1NPSR1HSD17B10TDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119371313-A Nitrobenzotrifluoride continuous preparation process of (C) 苏利(宁夏)新材料科技有限公司 2025-01-28 CN claimed
CN-118955295-A Technological method for preparing trifluoromethyl aniline through continuous catalytic hydrogenation reduction 浙江巍华新材料股份有限公司 2024-11-15 CN claimed
CN-117865811-B Method for preparing nitrobenzotrifluoride by continuously nitrifying benzotrifluoride 山东道可化学有限公司 2024-06-18 CN claimed
CN-114113363-B Method for detecting impurities in dutasteride soft capsules 人福普克药业(武汉)有限公司 2024-06-11 CN claimed
CN-118086703-A Process for purifying and recovering the element plutonium from irradiated americium/curium targets 中国原子能科学研究院 2024-05-28 CN claimed
CN-118054081-A Lithium-sulfur battery electrolyte suitable for long cycle life 清华大学 2024-05-17 CN claimed
CN-117865811-A Method for preparing nitrobenzotrifluoride by continuously nitrifying benzotrifluoride 山东道可化学有限公司 2024-04-12 CN claimed
WO-2023223192-A1 A SYSTEM AND PROCESS OF PREPARATION OF MONO-NITRO BENZO TRIFLUORIDE (NBTF) DEEPAK NITRITE LIMITED (IN) 2023-11-23 WO claimed
CN-116554431-A Preparation method of block ortho-dihydroxyl hydrocarbon-polyurethane coating with self-repairing function 扬州市祥华新材料科技有限公司 2023-08-08 CN claimed
CN-113061251-B Modified polyimide and preparation method and application thereof 河北科技大学 2022-11-29 CN claimed
EP-0313160-B1 PROCESS FOR PREPARING ANILINE DERIVATIVES SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1992-08-05 EP claimed
EP-0413192-A1 Method of making 1,1'-oxybis(3-nitro-5-Trifluoromethyl)benzene OCCIDENTAL CHEMICAL CORPORATION (US) 1991-02-20 EP claimed
US-4990670-A Method of making 1,1'-oxybis (3-nitro-5-trifluoromethyl)-benzene OCCIDENTAL CHEMICAL CORPORATION (US) 1991-02-05 US claimed
EP-0313160-A1 Process for preparing aniline derivatives SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1989-04-26 EP claimed
US-4578514-A Synthesis of sulfilimines MONSANTO COMPANY (US) 1986-03-25 US claimed
EP-0159388-A2 Preparation of nuclear chlorinated compounds OCCIDENTAL CHEMICAL CORPORATION (US) 1985-10-30 EP claimed
US-4538004-A Aromatic coupling process ETHYL CORPORATION (US) 1985-08-27 US claimed
US-4470930-A Preparation of nuclear chlorinated aromatic compounds OCCIDENTAL CHEMICAL CORPORATION (US) 1984-09-11 US claimed
US-4169853-A HYDROGENATION, CATALYST SELECTIVITY TEXACO DEVELOPMENT CORPORATION (US) 1979-10-02 US claimed
US-3984488-A Dinitration of nitrobenzotrifluoride AIR PRODUCTS AND CHEMICALS, INC. (US) 1976-10-05 US claimed