SCHEMBL28866554

SCHEMBL28866554

C=C(C)C(=O)OC(C)N(CC)CC.C=CC(=O)OC(C)O

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 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
Acrylic Acid Methyl Ester SCHEMBL29288449 0.87 ALDH1A1 (0.36) TSHR
Acrylic Acid SCHEMBL7775516 0.85 TSHR (0.37) TSHR
Isopropyl Alcohol SCHEMBL20480785 0.85 TSHR (0.41) TSHR
SCHEMBL28273631 0.84 TSHR (0.44) TSHR
SCHEMBL14873 0.84 TSHR (0.44) TSHR
Acrylamide SCHEMBL28259159 0.84 TSHR (0.36) TSHR
SCHEMBL28296802 0.84 TSHR (0.33) TSHR
SCHEMBL6746515 0.83 TSHR (0.38) TSHR
Hydrochloric Acid SCHEMBL9258461 0.83 TSHR (0.42) TSHR
Ammonia Solution, Strong SCHEMBL28263372 0.83 TSHR (0.42) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109070390-A Reinforcing fiber bundles and moulding material 三井化学株式会社 2018-12-21 CN disclosed