SCHEMBL23749097

SCHEMBL23749097

C=C(C(=O)OCCCC)C(=O)OCCCCC

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.68
RAD52 P43351 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
ALDH1A1 P00352 2/20 0.52
NAAA Q02083 1/20 0.52
HPGD P15428 1/20 0.50
EPHX1 P07099 1/20 0.48
ATM Q13315 1/20 0.48
HCAR2 Q8TDS4 2/20 0.46
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
FAAH O00519 1/20 0.43
LMNA P02545 1/20 0.43
ACHE P22303 3/20 0.42

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
SCHEMBL5871624 0.98 TSHR (0.70) TSHRRAD52NPSR1ALDH1A1NAAA
SCHEMBL31622800 0.96 TSHR (0.74) TSHRRAD52NPSR1ALDH1A1NAAA
SCHEMBL31622794 0.96 TSHR (0.74) TSHRRAD52NPSR1ALDH1A1NAAA
SCHEMBL31622795 0.96 TSHR (0.74) TSHRRAD52NPSR1ALDH1A1NAAA
SCHEMBL6658710 0.96 TSHR (0.74) TSHRRAD52NPSR1ALDH1A1NAAA
SCHEMBL31622797 0.96 TSHR (0.74) TSHRRAD52NPSR1ALDH1A1NAAA
SCHEMBL6656457 0.96 TSHR (0.74) TSHRRAD52NPSR1ALDH1A1NAAA
SCHEMBL31622783 0.96 TSHR (0.74) TSHRRAD52NPSR1ALDH1A1NAAA
SCHEMBL31622788 0.96 TSHR (0.74) TSHRRAD52NPSR1ALDH1A1NAAA
SCHEMBL5871868 0.96 TSHR (0.74) TSHRRAD52NPSR1ALDH1A1NAAA

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-3865520-B1 CURING AGENT COMPOSITION FOR CURING 2-METHYLENE-1,3-DICARBONYL COMPOUND NAMICS CORP (JP) 2024-02-28 EP disclosed
US-20210388128-A1 CURING AGENT COMPOSITION FOR CURING 2-METHYLENE-1,3-DICARBONYL COMPOUND NAMICS CORPORATION (JP) 2021-12-16 US disclosed
EP-3865520-A1 CURING AGENT COMPOSITION FOR CURING 2-METHYLENE-1,3-DICARBONYL COMPOUND Namics Corporation (JP) 2021-08-18 EP disclosed