SCHEMBL6439749

SCHEMBL6439749

C[C@](N)(C(N)=O)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL6439051 1.00 LMNA (0.32) LMNAALOX15BLMPMP22MAPT
SCHEMBL11610305 0.81 LMNA (0.35) LMNAALOX15BLMPMP22MAPT
SCHEMBL6439208 0.77 ALDH1A1 (0.40) LMNABLMPMP22MAPTKMT2A
SCHEMBL31287885 0.77 LMNA (0.32) LMNAALOX15BLMPMP22
SCHEMBL6437798 0.77 ALDH1A1 (0.40) LMNABLMPMP22MAPTKMT2A
Hydrochloric Acid SCHEMBL19900734 0.74 ALDH1A1 (0.38) LMNABLMPMP22MAPT
Hydrochloric Acid SCHEMBL19900732 0.74 ALDH1A1 (0.38) LMNABLMPMP22MAPT
Hydrochloric Acid SCHEMBL19900791 0.74 ALDH1A1 (0.38) LMNABLMPMP22MAPT
SCHEMBL622355 0.74
SCHEMBL435447 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1155138-B1 METHOD FOR PREPARING OPTICALLY ACTIVE 3,3,3-TRIFLUOROMETHYL-2-ALKYL PROPIONIC ACID DERIVATIVES LONZA AG (CH) 2005-01-05 EP claimed
EP-1155138-B1 METHOD FOR PREPARING OPTICALLY ACTIVE 3,3,3-TRIFLUOROMETHYL-2-ALKYL PROPIONIC ACID DERIVATIVES LONZA AG (CH) 2005-01-05 EP disclosed
US-6599721-B2 Chemical intermediates; hydrolysis using hydrolases LONZA AG (CH) 2003-07-29 US disclosed