SCHEMBL8905369

SCHEMBL8905369

C=CCC(S)(CN)CC=C

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL3851443 0.81
SCHEMBL1535676 0.71 ALDH1A1 (0.37) ALDH1A1
SCHEMBL9308212 0.71
SCHEMBL361437 0.69 ALDH1A1 (0.41) ALDH1A1
SCHEMBL10881991 0.69 ALDH1A1 (0.41) ALDH1A1
Iodide SCHEMBL14890443 0.69 ALDH1A1 (0.35) ALDH1A1
Bromide SCHEMBL7172029 0.69 ALDH1A1 (0.35) ALDH1A1
Hydrochloric Acid SCHEMBL1326227 0.69 ALDH1A1 (0.35) ALDH1A1
SCHEMBL22999494 0.67 TSHR (0.33)
SCHEMBL11006129 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5639920-A Process of producing hydroxyalkanal NIPPON SHOKUBAI CO., LTD. (JP) 1997-06-17 US claimed
US-5639920-A Process of producing hydroxyalkanal NIPPON SHOKUBAI CO., LTD. (JP) 1997-06-17 US disclosed