SCHEMBL19982927

SCHEMBL19982927

CCCCCCC(F)(F)CCC

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.46
LPAR1 Q92633 1/20 0.46
LPAR3 Q9UBY5 1/20 0.46
TSHR P16473 1/20 0.44
THRB P10828 1/20 0.44
FAAH O00519 7/20 0.39
CES1 P23141 5/20 0.39
GGPS1 O95749 4/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
FDPS P14324 6/20 0.38

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
SCHEMBL8069765 0.97 CES2 (0.43) CES2LPAR1LPAR3TSHRTHRB
Hydrochloric Acid SCHEMBL27437749 0.94 CES2 (0.41) CES2LPAR1LPAR3TSHRTHRB
Hydrochloric Acid SCHEMBL27435012 0.94 CES2 (0.41) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL23139281 0.94 CES2 (0.50) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL28301994 0.94 CES2 (0.50) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL16171314 0.94 CES2 (0.50) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL11867732 0.88 TSHR (0.35) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL29691910 0.88 CES2 (0.44) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL23014931 0.86 CES2 (0.35) CES2LPAR1LPAR3
SCHEMBL16925432 0.83 CES2 (0.46) CES2LPAR1LPAR3TSHRTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022103983-A9 FLUORENYLMETHYLOXYCARBONYL AND FLUORENYLMETHYLAMINOCARBONYL COMPOUNDS, PROTEIN CONJUGATES THEREOF, AND METHODS FOR THEIR USE SUTRO BIOPHARMA, INC. (US) 2022-06-09 WO disclosed
EP-2881394-B1 CONDENSED RING HETEROCYCLIC COMPOUND KYOWA HAKKO KIRIN CO LTD (JP) 2018-03-21 EP disclosed