SCHEMBL23716891

SCHEMBL23716891

CCCOC(=O)C(C#N)=NO

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.37
ALDH1A1 P00352 4/20 0.37
HCAR2 Q8TDS4 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
THRB P10828 1/20 0.33
GAA P10253 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP2C9 P11712 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MAPT P10636 1/20 0.32
LMNA P02545 2/20 0.32
ESR1 P03372 1/20 0.31
CHRM1 P11229 1/20 0.31
SLC6A2 P23975 1/20 0.31
KDR P35968 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PLK1 P53350 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
SCHEMBL23716890 1.00 TSHR (0.37) TSHRALDH1A1HCAR2MEN1KMT2A
SCHEMBL18532739 0.89 ALDH1A1 (0.44) TSHRALDH1A1HCAR2MEN1KMT2A
SCHEMBL498411 0.84 ALDH1A1 (0.53) TSHRALDH1A1MEN1KMT2ATHRB
SCHEMBL1023230 0.84 ALDH1A1 (0.53) TSHRALDH1A1MEN1KMT2ATHRB
SCHEMBL498412 0.84 ALDH1A1 (0.53) TSHRALDH1A1MEN1KMT2ATHRB
Potassium SCHEMBL29676665 0.82 ALDH1A1 (0.52) TSHRALDH1A1MEN1KMT2ATHRB
SCHEMBL28887217 0.82 ALDH1A1 (0.52) TSHRALDH1A1MEN1KMT2ATHRB
Water SCHEMBL27557216 0.73 HCAR2 (0.46) TSHRALDH1A1HCAR2THRBGAA
SCHEMBL9780925 0.73
SCHEMBL9780919 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3862431-B1 METHOD FOR PRODUCING HAIRPIN SINGLE-STRAND RNA MOLECULES TORAY INDUSTRIES (JP) 2024-06-26 EP disclosed
US-20240110186-A1 METHOD OF PRODUCING HAIRPIN SINGLE-STRANDED RNA MOLECULES TORAY INDUSTRIES, INC. (JP) 2024-04-04 US disclosed
US-11891602-B2 Method of producing hairpin single-stranded RNA molecules TORAY INDUSTRIES, INC. (JP) 2024-02-06 US disclosed
US-20210317495-A1 METHOD OF PRODUCING HAIRPIN SINGLE-STRANDED RNA MOLECULES TORAY INDUSTRIES, INC. (JP) 2021-10-14 US disclosed
EP-3862431-A1 METHOD FOR PRODUCING HAIRPIN SINGLE-STRAND RNA MOLECULES Toray Industries, Inc. (JP) 2021-08-11 EP disclosed