SCHEMBL10797182

SCHEMBL10797182

C=C(C)C(=O)OC[N+](CC)(CC)CC.COS(=O)(=O)[O-]

nearest known ligand 0.39

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.39
TSHR P16473 3/20 0.38
ALDH1A1 P00352 2/20 0.37

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
SCHEMBL3477020 0.86 THRB (0.48) THRBTSHRALDH1A1
SCHEMBL3899513 0.86 THRB (0.38) THRBTSHRALDH1A1
SCHEMBL1645591 0.84 THRB (0.44) THRBTSHRALDH1A1
SCHEMBL11760936 0.83 TSHR (0.39) THRBTSHRALDH1A1
SCHEMBL19971229 0.79 BBOX1 (0.42) THRBTSHRALDH1A1
SCHEMBL9087691 0.77 THRB (0.42) THRBTSHRALDH1A1
SCHEMBL630863 0.77 THRB (0.42) THRBTSHRALDH1A1
Sulfuric Acid SCHEMBL27971333 0.77 THRB (0.41) THRBTSHRALDH1A1
Sulfuric Acid SCHEMBL7201069 0.75 THRB (0.47) THRBTSHRALDH1A1
SCHEMBL11404662 0.75 ALDH1A1 (0.36) THRBTSHRALDH1A1

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-4645663-A Process for preparing a hair dye or hair bleach composition; a composition for use in this process; and the use of said composition to dye or bleach hair SOCIETE ANONYME DITE: L'OREAL (FR) 1987-02-24 US disclosed
US-4555246-A Process for preparing a hair dye or hair bleach composition; a composition for use in this process; and the use of said composition to dye or bleach hair L'OREAL (FR) 1985-11-26 US disclosed
US-4438095-A New cosmetic compositions for hair or skin conditioning, and the application thereof SOCIETE ANONYME DITE: L'OREAL (FR) 1984-03-20 US disclosed