SCHEMBL6682954

SCHEMBL6682954

C=C(C)C1(C)CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL18901553 0.97
SCHEMBL21727663 0.91
SCHEMBL26032890 0.84
SCHEMBL21936365 0.76
SCHEMBL3624649 0.75 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2
SCHEMBL9821204 0.75 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2
SCHEMBL14684645 0.74 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2
SCHEMBL306724 0.73
SCHEMBL12449915 0.73
SCHEMBL22641183 0.72 FFAR3 (0.32)

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-5918680-A Water spray cooling system for extinguishment and post fire suppression of compartment fires THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1999-07-06 US claimed
CN-101629067-A Natural solvent used for producing spray LIJIE HUANG 2010-01-20 CN disclosed
WO-2004071481-A1 MELANOGENESIS INHIBITOR AND SKIN PREPARATION CONTAINING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2004-08-26 WO disclosed