SCHEMBL11741983

SCHEMBL11741983

C=CCOP(=O)(OCC=C)C(=O)N(C)C

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31

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
SCHEMBL11788522 0.91 MAPT (0.30)
SCHEMBL25962090 0.79
SCHEMBL16987216 0.77 TSHR (0.33) TSHR
SCHEMBL11649999 0.74 PKM (0.35) TSHR
SCHEMBL2987279 0.73 TSHR (0.35) TSHR
SCHEMBL11682393 0.73 ALDH1A1 (0.33) TSHR
SCHEMBL11308533 0.72 BTN3A1 (0.31)
Trimethylammonium SCHEMBL17114926 0.72 LPAR3 (0.44)
SCHEMBL11681266 0.72 MAPT (0.37) TSHR
SCHEMBL28766345 0.72 LPAR2 (0.33)

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
US-4048156-A PLANT GROWTH REGULATORS E. I DU PONT DE NEMOURS AND COMPANY (US) 1977-09-13 US disclosed
US-3997544-A Plant growth regulant carbamoylphosphonates E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-12-14 US disclosed
US-3975464-A PLANT GROWTH REGULATOR E. I. DUPONT DE NEMOURS AND COMPANY (US) 1976-08-17 US disclosed