SCHEMBL29832013

SCHEMBL29832013

C=C(C)C(=O)OC(CCCC)C(O)(O)OC(=O)C(=C)C

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
CA2 P00918 2/20 0.31
CA1 P00915 1/20 0.31
THRB P10828 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CTSK P43235 1/20 0.30
MAPK1 P28482 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
SCHEMBL31648933 0.94 TSHR (0.45) TSHR
SCHEMBL29468151 0.94 TSHR (0.45) TSHR
SCHEMBL30440941 0.83 TSHR (0.36) TSHRTHRBALDH1A1
SCHEMBL16553065 0.81 TSHR (0.42) TSHRCA2CA1THRBALDH1A1
SCHEMBL4269389 0.77 TSHR (0.46) TSHRCA2
SCHEMBL28224092 0.76 TSHR (0.47) TSHRCA2CA1THRBALDH1A1
SCHEMBL1419275 0.76 TSHR (0.45) TSHR
Hydrochloric Acid SCHEMBL7129281 0.76 TSHR (0.38) TSHR
Phosphine SCHEMBL7187987 0.76 TSHR (0.38) TSHR
SCHEMBL17078640 0.75 TSHR (0.47) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4551180-A1 MONOMER MIXTURE FOR PRODUCING A DENTAL MATERIAL Mühlbauer Technology GmbH (DE) 2025-05-14 EP claimed
EP-4346743-A1 MONOMER MIXTURE FOR PRODUCING A DENTAL MATERIAL Mühlbauer Technology GmbH (DE) 2024-04-10 EP claimed
WO-2024008569-A1 MONOMER MIXTURE FOR PRODUCING A DENTAL MATERIAL MÜHLBAUER TECHNOLOGY GMBH (DE) 2024-01-11 WO claimed
WO-2022253551-A1 MONOMER MIXTURE FOR PRODUCING A DENTAL MATERIAL MÜHLBAUER TECHNOLOGY GMBH (DE) 2022-12-08 WO claimed