SCHEMBL10555693

SCHEMBL10555693

O=C(F)c1ccc(F)c(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.45
CES1 P23141 2/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MAOB P27338 2/20 0.42
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
PGR P06401 1/20 0.40
SLC9A1 P19634 2/20 0.40
CTSL P07711 1/20 0.38
ALDH1A1 P00352 1/20 0.37
VCP P55072 1/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
MAOA P21397 1/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
NOTUM Q6P988 1/20 0.36

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
SCHEMBL30817696 0.84 ALDH1A1 (0.52) CES2CES1NPC1RAB9AMAOB
SCHEMBL31302316 0.83 TTR (0.50) CES2CES1NPC1RAB9AMAOB
SCHEMBL9215548 0.83 NPC1 (0.47) CES2CES1NPC1RAB9AMAOB
SCHEMBL104151 0.83 TTR (0.50) CES2CES1NPC1RAB9AMAOB
Bromide SCHEMBL11166294 0.81 TTR (0.48) CES2CES1NPC1RAB9AMAOB
SCHEMBL31537525 0.81 PARP1 (0.48) CES2CES1NPC1RAB9AMAOB
SCHEMBL145505 0.81 PARP1 (0.48) CES2CES1NPC1RAB9AMAOB
Fluoride SCHEMBL11181401 0.81 TTR (0.48) CES2CES1NPC1RAB9AMAOB
SCHEMBL146573 0.81 NPC1 (0.46) CES2CES1NPC1RAB9AMAOB
SCHEMBL381027 0.81 NPC1 (0.44) CES2CES1NPC1RAB9AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0059365-A2 3-Bromo-4-fluoro-benzyl derivatives, and methods for their preparation BAYER AG (DE) 1982-09-08 EP claimed
EP-0024516-B1 4-FLUORO-3-BROMOBENZOYL FLUORIDE, PROCESS FOR ITS PREPARATION AND FOR THE PREPARATION OF 4-FLUORO-3-BROMOBENZOIC ACID THEREFROM BAYER AG (DE) 1982-07-28 EP claimed
US-4326087-A REACTING 3-BROMO-4-FLUORO-BENZYL ALCOHOL WITH A CHLORINATING OR BROMINATING AGENT OR 3-BROMO-4-FLUORO-BENZOYL FLUORIDE WITH A HYDRIDE BAYER AKTIENGESELLSCHAFT (DE) 1982-04-20 US claimed
EP-0024612-A2 New 4-fluoro-3-phenoxy-benzyl-ethers, process for their preparation and their use BAYER AG (DE) 1981-03-11 EP claimed
EP-0024516-A1 4-Fluoro-3-bromobenzoyl fluoride, process for its preparation and for the preparation of 4-fluoro-3-bromobenzoic acid therefrom BAYER AG (DE) 1981-03-11 EP claimed
CN-118439937-A Synthetic method of 4-fluoro-3-phenoxybenzaldehyde serving as key intermediate of insect repellent 康龙化成(绍兴)药业有限公司 2024-08-06 CN disclosed
US-4845249-A 4-fluoro-3-bromo benzaldehyde acetals BAYER AKTIENGESELLSCHAFT (DE) 1989-07-04 US disclosed
EP-0293747-A2 Process for the preparation of fluoride-substituted carboxylic-acid chlorides BASF Aktiengesellschaft (DE) 1988-12-07 EP disclosed
US-4748257-A 4-fluoro-3-phenoxy-benzaldehyde acetals BAYER AKTIENGESELLSCHAFT (DE) 1988-05-31 US disclosed
US-4626601-A Preparation of 4-fluoro-3-phenoxy-benzal-dehyde acetals and intermediates therefor BAYER AKTIENGESELLSCHAFT (DE) 1986-12-02 US disclosed
EP-0048411-B1 PROCESS FOR PREPARING 3-BROMO-4-FLUORO-BENZALDEHYDE ACETALS, INTERMEDIATES AND THEIR PREPARATION BAYER AG (DE) 1986-11-12 EP disclosed
US-4555370-A CYANTATION OF ACYL. FLUORIDE BAYER AKTIENGESELLSCHAFT (DE) 1985-11-26 US disclosed
EP-0044002-A1 Process for preparing 3-bromo-4-fluorobenzaldehyde (-acetals),3-bromo- 4-fluoro-benzoic acid nitrile and its preparation BAYER AG (DE) 1982-01-20 EP disclosed
EP-0038987-A1 Process for preparing acyl cyanides BAYER AG (DE) 1981-11-04 EP disclosed
EP-0024612-A2 New 4-fluoro-3-phenoxy-benzyl-ethers, process for their preparation and their use BAYER AG (DE) 1981-03-11 EP disclosed
EP-0024516-A1 4-Fluoro-3-bromobenzoyl fluoride, process for its preparation and for the preparation of 4-fluoro-3-bromobenzoic acid therefrom BAYER AG (DE) 1981-03-11 EP disclosed
EP-0024516-A1 4-Fluoro-3-bromobenzoyl fluoride, process for its preparation and for the preparation of 4-fluoro-3-bromobenzoic acid therefrom BAYER AG (DE) 1981-03-11 EP disclosed
EP-0024516-A1 4-Fluoro-3-bromobenzoyl fluoride, process for its preparation and for the preparation of 4-fluoro-3-bromobenzoic acid therefrom BAYER AG (DE) 1981-03-11 EP disclosed
EP-0024624-A2 4-Fluoro-3-phenoxy-benzaldehyde acetals, process for their preparation and intermediate products therefor BAYER AG (DE) 1981-03-11 EP disclosed
EP-0017882-A1 Process for the preparation of 3-phenoxy-4-fluoro-benzoic acid BAYER AG (DE) 1980-10-29 EP disclosed