SCHEMBL11289682

SCHEMBL11289682

NCC(OCCO)(OCCO)OCCO

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL28236492 0.78 TSHR (0.35) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL28116752 0.74 TSHR (0.33) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL115712 0.72
SCHEMBL668181 0.71 ALDH1A1 (0.41) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL4378851 0.71 TSHR (0.42) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL9096601 0.71 CA1 (0.31)
Hydrochloric Acid SCHEMBL25376564 0.70 ALDH1A1 (0.31) TSHRMAPK1ALDH1A1
SCHEMBL6428112 0.69 TSHR (0.39) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL8465970 0.69 TSHR (0.39) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL6562544 0.69 ALDH1A1 (0.35) TSHRALDH1A1

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
EP-0009679-B1 FLUORESCENT DYESTUFFS OF THE STILBENE SERIES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THE WHITENING OF ORGANIC MATERIALS AND AS LASER DYESTUFFS BAYER AG (DE) 1982-04-21 EP disclosed
EP-0042181-A2 Diphenyl derivatives BAYER AG (DE) 1981-12-23 EP disclosed
US-4301091-A FOR WHITENING AND FOR LASER EMISSION BAYER AKTIENGESELLSCHAFT (DE) 1981-11-17 US disclosed