SCHEMBL21958737

SCHEMBL21958737

CC=CCCNCCCCCCCCCC

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
ALDH1A1 P00352 1/20 0.56
EPHX1 P07099 2/20 0.46
ADH1B P00325 1/20 0.46
ADH1C P00326 1/20 0.46
ADH1A P07327 1/20 0.46
ADH4 P08319 1/20 0.46
ADH7 P40394 1/20 0.46
S1PR2 O95136 5/20 0.42
S1PR4 O95977 5/20 0.42
S1PR1 P21453 5/20 0.42
S1PR3 Q99500 5/20 0.42
S1PR5 Q9H228 1/20 0.42
KDM1A O60341 3/20 0.40
FAAH O00519 2/20 0.40
TRPV1 Q8NER1 1/20 0.40
PPARA Q07869 2/20 0.39

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
Hydrochloric Acid SCHEMBL22771804 0.96 TSHR (0.56) TSHRALDH1A1EPHX1ADH1BADH1C
Hydrochloric Acid SCHEMBL22771805 0.96 TSHR (0.56) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL27699390 0.91 TSHR (0.56) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL18534323 0.91 TSHR (0.56) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL27909599 0.91 TSHR (0.56) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL23950874 0.91 TSHR (0.48) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL27973667 0.89 ALDH1A1 (0.54) TSHRALDH1A1FAAHTRPV1PPARA
Hydrochloric Acid SCHEMBL22771728 0.89 TSHR (0.46) TSHRALDH1A1EPHX1ADH1BADH1C
Hydrochloric Acid SCHEMBL22771729 0.89 TSHR (0.46) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL21524732 0.89 ALDH1A1 (0.59) TSHRALDH1A1EPHX1ADH1BADH1C

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
US-20200235037-A1 FLUORINE-CONTAINING CONDUCTIVE FILMS ASM IP HOLDING B.V. (NL) 2020-07-23 US disclosed
US-10643925-B2 Fluorine-containing conductive films ASM IP HOLDING B.V. (NL) 2020-05-05 US disclosed