SCHEMBL6897181

SCHEMBL6897181

CC(C)(C)C1=NOC(CO)C1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.34
▸ 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
SCHEMBL9968972 0.82 TSHR (0.32) TSHR
SCHEMBL7996426 0.80 RAB9A (0.30) —
SCHEMBL19413741 0.72 TSHR (0.37) TSHR
SCHEMBL6894909 0.72 — —
SCHEMBL8941443 0.72 ALOX5 (0.39) —
SCHEMBL14269888 0.70 TSHR (0.34) TSHR
SCHEMBL9968971 0.68 TSHR (0.33) TSHR
SCHEMBL10033706 0.68 TSHR (0.33) TSHR
SCHEMBL14183657 0.68 — —
SCHEMBL12778338 0.68 MIF (0.31) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0907625-A4 FLUOROUS REACTION AND SEPARATION SYSTEMS UNIV PITTSBURGH (US) 2004-10-20 — — EP disclosed
US-6156896-A Fluorous reaction and separation systems UNIVERSITY OF PITTSBURGH (US) 2000-12-05 — — US disclosed
EP-0907625-A1 FLUOROUS REACTION AND SEPARATION SYSTEMS UNIVERSITY OF PITTSBURGH (US) 1999-04-14 — — EP disclosed
US-5859247-A Fluorous reaction and separation systems UNIVERSITY OF PITTSBURGH (US) 1999-01-12 — — US disclosed
WO-1998000376-A1 FLUOROUS REACTION AND SEPARATION SYSTEMS UNIVERSITY OF PITTSBURGH (US) 1998-01-08 — — WO disclosed
WO-1991016316-A1 PROCESS FOR PREPARING ISOXAZOLINES BP CHEMICALS LIMITED (GB) 1991-10-31 — — WO disclosed
EP-0453189-A1 Process for preparing isoxazolines von Oppolzer, Wolfgang Wilhelm R.E.J. (CH) 1991-10-23 — — EP disclosed
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