SCHEMBL24166311

SCHEMBL24166311

C=CCCC/C=C(\C)CN(C)CCC

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
ALDH1A1 P00352 1/20 0.39
SQLE Q14534 1/20 0.30
LSS P48449 1/20 0.30

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
SCHEMBL317345 0.75 TSHR (0.41) TSHRALDH1A1
SCHEMBL317012 0.75 TSHR (0.41) TSHRALDH1A1
SCHEMBL847999 0.74 TSHR (0.48) TSHRALDH1A1SQLELSS
SCHEMBL847998 0.74 TSHR (0.48) TSHRALDH1A1SQLELSS
SCHEMBL465310 0.73 TSHR (0.46) TSHRALDH1A1LSS
SCHEMBL465309 0.73 TSHR (0.46) TSHRALDH1A1LSS
SCHEMBL848618 0.73 TSHR (0.46) TSHRALDH1A1LSS
SCHEMBL19556876 0.73 TSHR (0.52) TSHRALDH1A1
SCHEMBL27394821 0.73 TSHR (0.36) TSHR
SCHEMBL23386326 0.71 TSHR (0.52) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3717466-B1 COMPOUNDS FOR SEPARATION OF RARE EARTH ELEMENTS AND S-, P-, D- METALS, METHOD OF SEPARATION, AND USE THEREOF USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR V V I (CZ) 2022-01-05 EP disclosed