SCHEMBL21782763

SCHEMBL21782763

CCC(C)(C)C(=O)CC(O)C(C)(C)CC

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32

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
SCHEMBL14949720 0.77 TSHR (0.35) TSHR
SCHEMBL20931107 0.75 ALDH1A1 (0.42)
SCHEMBL23717146 0.74 SMN1; SMN2 (0.46)
SCHEMBL17577435 0.68
SCHEMBL19261510 0.68 GRIK1 (0.47)
SCHEMBL16326320 0.68
SCHEMBL10526 0.68
SCHEMBL25523730 0.68 TSHR (0.43) TSHR
SCHEMBL8009840 0.68 RIPK1 (0.38) TSHR
SCHEMBL13892337 0.68 ALDH1A1 (0.35) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3617216-B1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND SAMSUNG ELECTRONICS CO LTD (KR) 2021-12-01 EP disclosed
EP-3617216-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND Samsung Electronics Co., Ltd. (KR) 2020-03-04 EP disclosed