SCHEMBL18861982

SCHEMBL18861982

C=C(C)C(=O)OCC(C)(C)CC(C)(C)N

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
THRB P10828 1/20 0.39
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 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
SCHEMBL27397574 0.85 TSHR (0.44) TSHRTHRBALDH1A1TDP1
SCHEMBL150582 0.84 TSHR (0.47) TSHRTHRBALDH1A1TDP1
SCHEMBL15337 0.84 TSHR (0.50) TSHRTHRBALDH1A1TDP1
Ammonia Solution, Strong SCHEMBL27914280 0.82 TSHR (0.45) TSHRTHRBALDH1A1TDP1
Chloromethane SCHEMBL7203982 0.82 TSHR (0.45) TSHRTHRBALDH1A1TDP1
Hydrochloric Acid SCHEMBL7877858 0.82 TSHR (0.45) TSHRTHRBALDH1A1TDP1
SCHEMBL17084287 0.81 TSHR (0.41) TSHRTHRBALDH1A1
SCHEMBL15892949 0.80 TSHR (0.40) TSHRTHRBALDH1A1
SCHEMBL12949384 0.79 TSHR (0.39) TSHRTHRBALDH1A1
SCHEMBL27278 0.79 TSHR (0.45) TSHRTHRBALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023078794-A1 BIOCIDAL POLYMER BLEND LANXESS DEUTSCHLAND GMBH (DE) 2023-05-11 WO disclosed
EP-4176721-A1 BIOCIDAL POLYMER BLENDS LANXESS Deutschland GmbH (DE) 2023-05-10 EP disclosed
EP-2413697-B1 STABILISATION OF COMPOUNDS CONTAINING IODINE LANXESS DEUTSCHLAND GMBH (DE) 2017-11-08 EP disclosed
EP-2779830-B1 STABILIZATION OF COMPOUNDS CONTAINING IODINE HAVING POLYMERS COMPRISING NITROGEN LANXESS DEUTSCHLAND GMBH (DE) 2017-05-17 EP disclosed