SCHEMBL3712082

SCHEMBL3712082

CCOC(C)OCC.O=Cc1ccc(F)c(Oc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.52
ALDH1A1 P00352 6/20 0.40
GAA P10253 2/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
TACR2 P21452 1/20 0.36
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
TSHR P16473 1/20 0.35
DUT P33316 1/20 0.34
FDPS P14324 1/20 0.34
HTR2A P28223 1/20 0.33
SLC6A4 P31645 1/20 0.33
NPC1 O15118 1/20 0.33
CYP2C9 P11712 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL920233 0.85 TTR (0.64) TTRALDH1A1GAALMNAKMT2A
SCHEMBL30508566 0.85 TTR (0.64) TTRALDH1A1GAALMNAKMT2A
SCHEMBL11032150 0.82 TTR (0.60) TTRALDH1A1GAALMNAKMT2A
SCHEMBL9632142 0.80 MAOA (0.49) TTRALDH1A1LMNAMAOAMAOB
Sulfurous Acid SCHEMBL10561789 0.79 TTR (0.56) TTRALDH1A1GAALMNAKMT2A
SCHEMBL3709773 0.76 ALDH1A3 (0.44) ALDH1A1LMNAKMT2ATACR2MAOA
SCHEMBL11320182 0.76 LMNA (0.68) TTRALDH1A1GAALMNAKMT2A
2-Naphthaldehyde SCHEMBL434215 0.76 RAB9A (0.47) TTRALDH1A1GAALMNANPC1
Ethylene SCHEMBL11034389 0.75 ALDH1A1 (0.37) ALDH1A1LMNAKMT2ATACR2TSHR
Benzaldehyde SCHEMBL367504 0.74 ALDH1A1 (0.54) ALDH1A1LMNAKMT2AMAOAMAOB

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010086876-A2 ETHER SYNTHESIS ADITYA BIRLA SCIENCE & TECHNOLOGY CO. LTD. (IN) 2010-08-05 WO claimed
US-4748257-A 4-fluoro-3-phenoxy-benzaldehyde acetals BAYER AKTIENGESELLSCHAFT (DE) 1988-05-31 US claimed
EP-0024624-B1 4-FLUORO-3-PHENOXY-BENZALDEHYDE ACETALS, PROCESS FOR THEIR PREPARATION AND INTERMEDIATE PRODUCTS THEREFOR BAYER AG (DE) 1984-07-04 EP claimed
WO-2010086876-A3 ETHER SYNTHESIS ADITYA BIRLA SCIENCE & TECHNOLOGY CO. LTD. (IN) 2012-10-04 WO disclosed
WO-2010086876-A2 ETHER SYNTHESIS ADITYA BIRLA SCIENCE & TECHNOLOGY CO. LTD. (IN) 2010-08-05 WO disclosed
WO-2010086876-A2 ETHER SYNTHESIS ADITYA BIRLA SCIENCE & TECHNOLOGY CO. LTD. (IN) 2010-08-05 WO disclosed
US-4845249-A 4-fluoro-3-bromo benzaldehyde acetals BAYER AKTIENGESELLSCHAFT (DE) 1989-07-04 US disclosed
US-4748257-A 4-fluoro-3-phenoxy-benzaldehyde acetals BAYER AKTIENGESELLSCHAFT (DE) 1988-05-31 US 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
US-4383949-A Preparation of 3-bromo-4-fluorobenzaldehyde and its acetals BAYER AKTIENGESELLSCHAFT (DE) 1983-05-17 US disclosed
US-4348538-A IMINES, GLYOCYLIC ACIDS, BENZOYL CYANIDES BAYER AKTIENGESELLSCHAFT (DE) 1982-09-07 US 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