SCHEMBL3899554

SCHEMBL3899554

O=C(O)c1ccccc1CCCCF

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.59
SLC16A3 O15427 10/20 0.51
DHODH Q02127 1/20 0.49
ALDH1A1 P00352 2/20 0.46
ALOX15 P16050 1/20 0.46
HMGB1 P09429 1/20 0.46
TSHR P16473 1/20 0.46
ADRB2 P07550 1/20 0.42
BID P55957 1/20 0.41
BCL2L1 Q07817 1/20 0.41
MCL1 Q07820 1/20 0.41
BAK1 Q16611 1/20 0.41

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
SCHEMBL1257329 0.98 FOLH1 (0.58) FOLH1SLC16A3DHODHALDH1A1ALOX15
Hydrochloric Acid SCHEMBL7539402 0.98 FOLH1 (0.58) FOLH1SLC16A3DHODHALDH1A1ALOX15
SCHEMBL729909 0.90 FOLH1 (0.70) FOLH1SLC16A3DHODHALDH1A1ALOX15
SCHEMBL9345842 0.88 FOLH1 (0.68) FOLH1SLC16A3DHODHALDH1A1ALOX15
SCHEMBL31721455 0.86 FOLH1 (0.66) FOLH1SLC16A3DHODHALDH1A1ALOX15
SCHEMBL31474045 0.86 FOLH1 (0.70) FOLH1SLC16A3DHODHALDH1A1ALOX15
SCHEMBL1417089 0.85 FOLH1 (0.59) FOLH1SLC16A3DHODHALDH1A1ALOX15
SCHEMBL7187731 0.84 HMGB1 (0.68) FOLH1ALDH1A1HMGB1BIDBCL2L1
SCHEMBL4768365 0.84 ALDH1A1 (0.46) FOLH1SLC16A3DHODHALDH1A1ALOX15
SCHEMBL2777290 0.84 FOLH1 (0.58) FOLH1SLC16A3DHODHALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2120939-A2 SUBSTITUTED PYRIDINE N-OXIDE HERBICIDES E. I. Du Pont de Nemours and Company (US) 2009-11-25 EP disclosed
EP-1692150-A4 PROCESS FOR MANUFACTURE OF PENTAERYTHRITOL DIPHOSPHITES DOVER CHEMICAL CORP (US) 2009-02-25 EP disclosed
WO-2008100426-A2 SUBSTITUTED PYRIDINE N-OXIDE HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-08-21 WO disclosed
EP-1692150-A2 PROCESS FOR MANUFACTURE OF PENTAERYTHRITOL DIPHOSPHITES Dover Chemical Corporation (US) 2006-08-23 EP disclosed
WO-2005113665-A2 PHENOL-FREE PHOSPHITES DOVER CHEMICAL CORPORATION (US) 2005-12-01 WO disclosed
WO-2005060500-A2 PROCESS FOR MANUFACTURE OF PENTAERYTHRITOL DIPHOSPHITES DOVER CHEMICAL CORPORATION (US) 2005-07-07 WO disclosed
WO-1999003915-A1 LACTONE/PHOSPHITE BLENDS DOVER CHEMICAL CORPORATION (US) 1999-01-28 WO disclosed