SCHEMBL22648248

SCHEMBL22648248

C=C(C)C(=O)OCCNC(C)CC=CC(=O)OCCNC(C)C

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
THRB P10828 1/20 0.35
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL24440051 1.00 TSHR (0.36) TSHRTHRBALDH1A1
SCHEMBL23450735 1.00 TSHR (0.36) TSHRTHRBALDH1A1
SCHEMBL22648235 0.91 TSHR (0.36) TSHRTHRBALDH1A1
SCHEMBL23450743 0.89 THRB (0.35) TSHRTHRBALDH1A1
SCHEMBL23463488 0.85 TSHR (0.36) TSHRTHRBALDH1A1
SCHEMBL345374 0.82 TSHR (0.52) TSHRTHRBALDH1A1
SCHEMBL24439599 0.79 THRB (0.37) TSHRTHRBALDH1A1
SCHEMBL355560 0.78 TSHR (0.41) TSHRTHRB
SCHEMBL353384 0.77 TSHR (0.40) TSHRTHRB
SCHEMBL24264614 0.74 THRB (0.58) TSHRTHRBALDH1A1

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
WO-2021108191-A1 AROMATIC SUBSTITUTED ALKANE-CORE MONOMERS AND POLYMERS THEREOF FOR VOLUME BRAGG GRATINGS FACEBOOK TECHNOLOGIES, LLC (US) 2021-06-03 WO disclosed
WO-2021108597-A1 THIOPHOSPHATE AND PHOSPHINE SULFIDE DERIVATIZED MONOMERS AND POLYMERS FOR VOLUME BRAGG GRATINGS FACEBOOK TECHNOLOGIES, LLC (US) 2021-06-03 WO disclosed
WO-2020227276-A1 THIANTHRENE DERIVATIZED MONOMERS AND POLYMERS FOR VOLUME BRAGG GRATINGS FACEBOOK TECHNOLOGIES, LLC (US) 2020-11-12 WO disclosed