SCHEMBL2647824

SCHEMBL2647824

O=C1OC(=O)C2=C1C1CCCC2CC1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.31

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
SCHEMBL304318 0.92 CEL (0.33) TSHR
SCHEMBL346764 0.92 TSHR (0.35) TSHR
SCHEMBL6238652 0.90 KMT2A (0.36) —
SCHEMBL15751193 0.84 ESR2 (0.36) TSHR
SCHEMBL15751190 0.84 ESR2 (0.36) TSHR
SCHEMBL10759055 0.81 TSHR (0.32) TSHR
SCHEMBL346876 0.81 TSHR (0.32) TSHR
SCHEMBL561422 0.81 TSHR (0.32) TSHR
SCHEMBL14620427 0.75 CEL (0.33) —
SCHEMBL10679447 0.75 KMT2A (0.34) —

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-6255305-B1 PSYCHOLOGICAL DISORDERS MERCK SHARP & DOHME LIMITED (GB) 2001-07-03 — — US disclosed
EP-0915875-A2 SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 1999-05-19 — — EP disclosed
WO-1998004559-A2 SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1998-02-05 — — WO disclosed
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