SCHEMBL9003640

SCHEMBL9003640

CC(O)Cl.CCC(O)[N+](CC)(CC)CC

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
ALDH1A1 P00352 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
SCHEMBL272420 0.89 TSHR (0.39) TSHR
Bromide SCHEMBL7214856 0.86 TSHR (0.37) TSHR
Water SCHEMBL319988 0.86 TSHR (0.37) TSHR
Hydrochloric Acid SCHEMBL11584438 0.86 TSHR (0.37) TSHR
Hydrochloric Acid SCHEMBL27408053 0.83 TSHR (0.35) TSHR
Acetic Acid SCHEMBL320011 0.77 CA1 (0.40) TSHRALDH1A1
SCHEMBL16321131 0.70 TSHR (0.33) TSHRALDH1A1
SCHEMBL8023577 0.69 TDP1 (0.37) TSHRALDH1A1
Hydrogen Sulfide SCHEMBL27692350 0.69
Hydrochloric Acid SCHEMBL27292019 0.68 TSHR (0.32) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0566270-B1 Coated recording sheets XEROX CORP (US) 1996-09-25 EP disclosed
US-5212008-A Coated recording sheets XEROX CORPORATION (US) 1993-05-18 US disclosed