SCHEMBL21543979

SCHEMBL21543979

CCCCO[Ti](OCCCC)OCCCC.COC(=O)CC(C)=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.58
GAA P10253 1/20 0.58
SI P14410 1/20 0.58
MGAM2 Q2M2H8 1/20 0.58
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.40
POLA1 P09884 1/20 0.40
TSHR P16473 4/20 0.37
CES2 O00748 1/20 0.37
HPGD P15428 1/20 0.37
CA12 O43570 2/20 0.36
CA14 Q9ULX7 2/20 0.36
ATM Q13315 1/20 0.35
NAAA Q02083 1/20 0.34
DGKA P23743 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL427688 0.85 GAA (0.48) MGAMGAASIMGAM2ALDH1A1
Acetic Acid SCHEMBL6871026 0.81 ALDH1A1 (0.50) ALDH1A1TSHRCES2HPGDATM
SCHEMBL21066630 0.79 MGAM (0.68) MGAMGAASIMGAM2ALDH1A1
SCHEMBL21544289 0.79 ALDH1A1 (0.41) ALDH1A1TSHRCES2HPGDATM
SCHEMBL8573511 0.79 MGAM (0.56) MGAMGAASIMGAM2ALDH1A1
SCHEMBL3479485 0.79 MGAM (0.56) MGAMGAASIMGAM2ALDH1A1
Butyl Alcohol SCHEMBL28056700 0.76 MGAM (0.62) MGAMGAASIMGAM2ALDH1A1
Butyl Alcohol SCHEMBL28457458 0.76 MGAM (0.62) MGAMGAASIMGAM2ALDH1A1
SCHEMBL1162 0.76
SCHEMBL434452 0.76 ADRB2 (0.45) ALDH1A1TSHRHPGDATMTDP1

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
US-10886072-B2 Method for producing photoelectric conversion element SHARP KABUSHIKI KAISHA (JP) 2021-01-05 US disclosed
US-20190348226-A1 METHOD FOR PRODUCING PHOTOELECTRIC CONVERSION ELEMENT SHARP KABUSHIKI KAISHA (JP) 2019-11-14 US disclosed