SCHEMBL7925639

SCHEMBL7925639

[Ti]OOCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
IDO1 P14902 3/20 0.50
AGXT P21549 2/20 0.48
ALDH1A1 P00352 3/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A3 Q01959 2/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
PTGS1 P23219 1/20 0.41
CYP2C19 P33261 1/20 0.41
PTGS2 P35354 1/20 0.41
HIF1A Q16665 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CALM1 P0DP23 1/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.40

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
SCHEMBL177923 0.83 TSHR (0.67) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL4363419 0.80 TSHR (0.63) TSHRIDO1AGXTALDH1A1CA1
Water SCHEMBL28419682 0.80 TSHR (0.63) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL876547 0.78 TSHR (0.60) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL10355200 0.78
SCHEMBL27405093 0.78 TSHR (0.60) TSHRIDO1AGXTALDH1A1CA1
Hydrochloric Acid SCHEMBL11756318 0.76 TSHR (0.57) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL11513295 0.74 TSHR (0.55) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL7915801 0.74 TSHR (0.55) TSHRIDO1AGXTALDH1A1CA1
Bicarbonate SCHEMBL9066694 0.74 ALDH1A1 (0.58) TSHRIDO1AGXTALDH1A1SLC6A2

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
EP-0867454-B1 POLYMERIZATION CATALYST AND PROCESS FOR PRODUCING POLYMERS IDEMITSU KOSAN CO (JP) 2001-03-21 EP disclosed
US-6075102-A Polymerization catalyst and process for producing polymers IDEMITSU KOSAN CO., LTD. (JP) 2000-06-13 US disclosed
EP-0867454-A1 POLYMERIZATION CATALYST AND PROCESS FOR PRODUCING POLYMERS IDEMITSU KOSAN COMPANY LIMITED (JP) 1998-09-30 EP disclosed