SCHEMBL1385448

SCHEMBL1385448

O=C(O)OC(Cl)(Cl)Cl.O=C(OC(Cl)(Cl)Cl)OC(Cl)(Cl)Cl

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL17372577 1.00 ALDH1A1 (0.35) ALDH1A1TP53TSHR
SCHEMBL215279 0.91
SCHEMBL28790324 0.88
Bicarbonate SCHEMBL15874485 0.88 ALDH1A1 (0.39) ALDH1A1TP53TSHR
SCHEMBL28391226 0.88
Hydrochloric Acid SCHEMBL27860280 0.88
SCHEMBL5427 0.87 ALDH1A1 (0.35) ALDH1A1TP53TSHR
SCHEMBL758893 0.87 ALDH1A1 (0.35) ALDH1A1TP53TSHR
Ethylene SCHEMBL7895428 0.85 ALDH1A1 (0.37) ALDH1A1TP53TSHR
Ethyne SCHEMBL19712860 0.85 ALDH1A1 (0.37) ALDH1A1TP53TSHR

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
JP-4838934-B2 2011-12-14 JP claimed
CN-111217705-A Method for continuously synthesizing benzyl chloroformate by using microchannel reactor 山东金城柯瑞化学有限公司 2020-06-02 CN disclosed
CN-109206316-A The preparation method of amino protecting group benzyl chloroformate 山东金城柯瑞化学有限公司 2019-01-15 CN disclosed
US-20070196657-A1 Transparent polymer composites CABOT CORPORATION (US) 2007-08-23 US disclosed