SCHEMBL9505417

SCHEMBL9505417

NCC(CCO)(CCO)C(N)(CCO)CCO

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL2335081 0.75 FDPS (0.34) ALDH1A1TSHR
SCHEMBL132519 0.75 MEN1 (0.38) ALDH1A1TSHR
Hydrochloric Acid SCHEMBL9755283 0.72 MEN1 (0.35) ALDH1A1TSHR
SCHEMBL5961879 0.67 MEN1 (0.32)
SCHEMBL530289 0.67 MEN1 (0.39) ALDH1A1TSHR
SCHEMBL2156639 0.65 ARG2 (0.34) ALDH1A1TSHR
Bromide SCHEMBL18209385 0.65 MEN1 (0.37) ALDH1A1TSHR
Hydrochloric Acid SCHEMBL6534748 0.65 MEN1 (0.37) ALDH1A1TSHR
SCHEMBL9621519 0.65 ARG2 (0.34) ALDH1A1TSHR
SCHEMBL27860601 0.65 MEN1 (0.37)

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-0552360-A1 A COMPOSITION AND METHOD FOR SIMULTANEOUS ABSORPTION OF SULFUR DIOXIDE AND NITRIC OXIDE THE DOW CHEMICAL COMPANY (US) 1993-07-28 EP claimed
WO-1993003825-A1 A COMPOSITION AND METHOD FOR SIMULTANEOUS ABSORPTION OF SULFUR DIOXIDE AND NITRIC OXIDE THE DOW CHEMICAL COMPANY (US) 1993-03-04 WO claimed
US-20130039829-A1 ACID GAS RECOVERY UTILIZING ORGANIC ACID SALTED DIAMINE CANSOLV TECHNOLOGIES INC. (CA) 2013-02-14 US disclosed