SCHEMBL9239983

SCHEMBL9239983

CCCCOCC(OCCCC)(OCCCC)O[PH](=O)O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
CES1 P23141 1/20 0.35
CES2 O00748 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL9239969 0.86 CES1 (0.37) TSHRCES1CES2CYP3A4CYP4F2
SCHEMBL11229776 0.82 CYP3A4 (0.33) CYP3A4ALDH1A1
SCHEMBL4145527 0.79 TSHR (0.42) TSHRCES1CES2CYP3A4HPGD
SCHEMBL9239975 0.78 ALDH1A1 (0.34) TSHRCYP3A4HPGDALDH1A1
SCHEMBL5430404 0.74 ALDH1A1 (0.34) TSHRCYP3A4CYP4F2CYP4A11HPGD
SCHEMBL29111555 0.74 ALDH1A1 (0.44) TSHRCES1CES2CYP3A4CYP4F2
SCHEMBL855728 0.74 TSHR (0.38) TSHRCES1CYP3A4HPGDSMN1; SMN2
SCHEMBL7591304 0.73 CES1 (0.48) TSHRCES1CES2ALDH1A1
SCHEMBL37202 0.73 CYP3A4 (0.47) TSHRCES1CES2CYP3A4HPGD
SCHEMBL37204 0.72 SMPD1 (0.42) TSHRCES1CYP3A4HPGDSMN1; SMN2

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
WO-2021261298-A1 FOAM FIRE EXTINGUISHING AGENT ヤマトプロテック株式会社 2021-12-30 WO disclosed
EP-0681056-A1 LOW-TEMPERATURE DYEING ADDITIVE FOR PROTEIN FIBER PRODUCT AND METHOD OF DYEING THEREWITH TUYAKU CO., LTD. (JP) 1995-11-08 EP disclosed