SCHEMBL10403259

SCHEMBL10403259

O=C(CO)OCC(Cl)(Cl)Cl

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
POLB P06746 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
SCHEMBL11839259 0.81 CHRM2 (0.33)
SCHEMBL9521455 0.81 MGAM (0.43) ALDH1A1POLB
SCHEMBL7439614 0.81 ADRA2A (0.37) ALDH1A1POLB
SCHEMBL9579525 0.80 ALDH1A1 (0.30) ALDH1A1POLB
SCHEMBL10403258 0.79 ALDH1A1 (0.32) ALDH1A1POLB
SCHEMBL2171695 0.79 TSHR (0.32) ALDH1A1POLB
SCHEMBL2762200 0.78 MAPK1 (0.39) ALDH1A1
SCHEMBL6447039 0.77 NAAA (0.41) ALDH1A1POLB
SCHEMBL3042462 0.77 ALDH1A1 (0.31) ALDH1A1POLB
SCHEMBL10105403 0.77 TSHR (0.40) ALDH1A1POLB

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
CN-1939461-A Quality control of Chinese medicinal compound preparation QIYUANYIDE DRUG INST BEIJING (CN) 2007-04-04 CN disclosed
US-4914206-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-04-03 US disclosed
EP-0226896-A2 Lankacidin derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1987-07-01 EP disclosed