SCHEMBL177221

SCHEMBL177221

CC(C)Nc1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 2/20 0.57
TDP1 Q9NUW8 3/20 0.56
ALDH1A1 P00352 4/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
TSHR P16473 3/20 0.54
HSD17B10 Q99714 3/20 0.54
CYP3A4 P08684 2/20 0.54
THRB P10828 2/20 0.54
ALOX15 P16050 2/20 0.54
LMNA P02545 1/20 0.54
ALOX12 P18054 1/20 0.54
RECQL P46063 1/20 0.54
ATM Q13315 1/20 0.54
CA12 O43570 1/20 0.48
MMP2 P08253 1/20 0.48
RXFP1 Q9HBX9 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
POLB P06746 2/20 0.43
KDM4E B2RXH2 2/20 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
SCHEMBL22967600 0.87 MEN1 (0.57) KCNH3TDP1ALDH1A1L3MBTL1TSHR
SCHEMBL22967574 0.87 L3MBTL1 (0.47) KCNH3TDP1ALDH1A1L3MBTL1TSHR
SCHEMBL39430 0.86 TDP1 (0.72) KCNH3TDP1ALDH1A1L3MBTL1TSHR
Glycolic Acid SCHEMBL8596683 0.82 POLB (0.46) KCNH3TDP1ALDH1A1L3MBTL1TSHR
Chloroacetic Acid SCHEMBL8845126 0.81 GCG (0.45) KCNH3TDP1ALDH1A1L3MBTL1TSHR
SCHEMBL22967580 0.78 MAOB (0.56) ALDH1A1L3MBTL1LMNARECQLCA12
SCHEMBL9934007 0.78 TDP1 (0.81) KCNH3TDP1ALDH1A1L3MBTL1TSHR
SCHEMBL6701040 0.77 CA12 (0.42) KCNH3TDP1ALDH1A1L3MBTL1TSHR
SCHEMBL7213755 0.76 TDP1 (0.59) KCNH3TDP1ALDH1A1L3MBTL1TSHR
SCHEMBL1454276 0.76 TDP1 (0.59) KCNH3TDP1ALDH1A1L3MBTL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116223654-B HPLC-MS/MS detection method for 4-fluoro-N-isopropylaniline in soil and water 贵州健安德科技有限公司 2025-05-02 CN claimed
CN-119143611-A Continuous preparation method of N-isopropyl p-fluoroaniline 浙江大学衢州研究院 2024-12-17 CN claimed
CN-116041200-B Method for synthesizing N- (4-fluoroaniline) -2-hydroxy-N-isopropyl acetamide 大连奇凯医药科技有限公司 2024-05-28 CN claimed
CN-113666829-B Preparation method of 4-fluoro-N-isopropylaniline and flufenacet 黑龙江立科新材料有限公司 2024-04-19 CN claimed
CN-114380771-B Preparation method of flufenacet 浙江财和生物科技有限公司 2023-07-21 CN claimed
CN-116223654-A HPLC-MS/MS detection method for 4-fluoro-N-isopropylaniline in soil and water 贵州健安德科技有限公司 2023-06-06 CN claimed
CN-116041200-A Method for synthesizing N- (4-fluoroaniline) -2-hydroxy-N-isopropyl acetamide 大连奇凯医药科技有限公司 2023-05-02 CN claimed
CN-112138651-B Platinum-carbon catalyst for synthesizing flufenacet intermediate and preparation method and application thereof 西安凯立新材料股份有限公司 2023-03-03 CN claimed
CN-111072498-B Preparation method of chemical intermediate N-isopropyl para-fluoroaniline 浙江解氏新材料股份有限公司 2022-11-15 CN claimed
CN-114380771-A Preparation method of flufenacet 浙江财和生物科技有限公司 2022-04-22 CN claimed
EP-1221844-B1 SELECTIVE HERBICIDES BASED ON PYRIMIDINE-DERIVATIVES BAYER CROPSCIENCE AG (DE) 2004-08-18 EP claimed
CN-1107051-C Process for preparation of N-(4-fluorine-phenyl)-N-isopropyl-chloroacetamide BAYER AG (DE) 2003-04-30 CN claimed
EP-0884304-B1 Process for the preparation of F-(4-Fluoro-phenyl)-N-isopropyl-chloracetamide BAYER AG (DE) 2001-07-04 EP claimed
CN-1275561-A Process for preparation of N-(4-fluorine-phenyl)-N-isopropyl-chloroacetamide BAYER AG (DE) 2000-12-06 CN claimed
EP-0884304-A2 Process for the preparation of F-(4-Fluoro-phenyl)-N-isopropyl-chloracetamide BAYER AG (DE) 1998-12-16 EP claimed
US-5831126-A FROM CHLOROACETYL CHLORIDE AND P-FLUORO-N-ISOPROPYLANILINE BAYER AKTIENGESELLSCHAFT (DE) 1998-11-03 US claimed
US-5817876-A ONE POT; REACTING AN NITROARENE WITH A CARBONYL COMPOUND BAYER AKTIENGESELLSCHAFT (DE) 1998-10-06 US claimed
CN-1131143-A Herbicidal compositions based on N- (4-fluoro-phenyl) -N-isopropyl-chloroacetamide and process for preparing the same BAYER AG (DE) 1996-09-18 CN claimed
EP-0709368-A1 Herbicidal agent based on the N-(4-fluorphenyl)-N-isopropyl-chloroacetamide and process for its preparation BAYER AG (DE) 1996-05-01 EP claimed
EP-0348737-B1 HETEROARYLOXY-ACETIC ACID N-ISOPROPYL ANILIDES BAYER AG (DE) 1993-08-04 EP claimed