SCHEMBL28424971

SCHEMBL28424971

NC(N)N(OCCO)OCCO

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL1243856 0.79 ALDH1A1 (0.33) TSHRMAPK1
SCHEMBL352469 0.75 ALDH1A1 (0.33) TSHR
SCHEMBL28508503 0.72 TSHR (0.33) TSHRMAPK1MEN1KMT2A
SCHEMBL79662 0.72 ALDH1A1 (0.33) TSHRMAPK1MEN1KMT2A
SCHEMBL2058215 0.70 ALDH1A1 (0.32) TSHRMAPK1MEN1KMT2A
Hydrochloric Acid SCHEMBL28456756 0.70 TSHR (0.32) TSHRMAPK1MEN1KMT2A
SCHEMBL10889630 0.69 ALDH1A1 (0.31) TSHRMAPK1
SCHEMBL1954436 0.67 CHRNB2 (0.33)
SCHEMBL22164162 0.67 TSHR (0.39) TSHRMAPK1MEN1KMT2A
SCHEMBL14420467 0.67

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-109517207-B Medical polymer material with anti-adhesion and sterilization functional surface and preparation method thereof 中国科学院长春应用化学研究所 2020-06-16 CN disclosed