SCHEMBL8743532

SCHEMBL8743532

C#CC(O)CC(C)CCC

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42

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
SCHEMBL6154167 0.87 ACE2 (0.33) TSHR
SCHEMBL9794175 0.87 ACE2 (0.33) TSHR
SCHEMBL9794469 0.87 ACE2 (0.33) TSHR
SCHEMBL11652442 0.83
SCHEMBL28899820 0.79
SCHEMBL235075 0.78
SCHEMBL14986356 0.78
SCHEMBL15283773 0.78
SCHEMBL10946888 0.77 TSHR (0.42) TSHR
SCHEMBL28847735 0.76 TSHR (0.40) TSHR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0589965-B1 ORGANOBORON REAGENTS FOR THE PREPARATION OF UNSUBSTITUTED PROPARGYLIC ALCOHOLS MERRELL PHARMA INC (US) 1997-01-08 EP disclosed
EP-0589965-A1 NEW ORGANOBORON REAGENTS FOR THE PREPARATION OF UNSUBSTITUTED PROPARGYLIC ALCOHOLS. MERRELL DOW PHARMA (US) 1994-04-06 EP disclosed
WO-1993000347-A1 NEW ORGANOBORON REAGENTS FOR THE PREPARATION OF UNSUBSTITUTED PROPARGYLIC ALCOHOLS MERRELL DOW PHARMACEUTICALS INC. (US) 1993-01-07 WO disclosed
US-5157167-A Organoboron reagents for the preparation of unsubstituted propargylic alcohols MERRELL DOW PHARMACEUTICALS INC. (US) 1992-10-20 US disclosed
US-5110966-A New organoboron reagents for the preparation unsubstituted propargylic alcohols MERRELL DOW PHARMACEUTICALS INC. (US) 1992-05-05 US disclosed