SCHEMBL21261979

SCHEMBL21261979

C=C(C)C(=O)OC1CC(O)C(OC(=O)C(=C)C)C(O)CC(OC(=O)C(C)C)C(O)C(OC(=O)C(=C)C)C1O

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.36

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
SCHEMBL21120594 0.80 TSHR (0.46) TSHR
SCHEMBL13458355 0.76 TSHR (0.38) TSHR
SCHEMBL14633722 0.69 ALDH1A1 (0.44) TSHR
SCHEMBL1069288 0.69 ALDH1A1 (0.37) TSHR
SCHEMBL21164034 0.68 ALDH1A1 (0.40) TSHR
SCHEMBL21423334 0.67 ALDH1A1 (0.35) —
SCHEMBL16490740 0.66 ALDH1A1 (0.41) TSHR
SCHEMBL14816289 0.66 ALDH1A1 (0.44) TSHR
SCHEMBL14816291 0.66 ALDH1A1 (0.44) TSHR
SCHEMBL3060954 0.66 ALDH1A1 (0.44) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10570336-B2 Impact-modified hydroxyapatite as flame retardant polymer fillers INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2020-02-25 — — US disclosed
US-20190249085-A1 IMPACT-MODIFIED HYDROXYAPATITE AS FLAME RETARDANT POLYMER FILLERS INTERNATIONAL BUSINESS MACHINES CORPORATION 2019-08-15 — — US disclosed
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