SCHEMBL22444530

SCHEMBL22444530

CCCC(OCC)c1ccccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
POLB P06746 2/20 0.40
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
HTR1A P08908 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
LMNA P02545 3/20 0.33
GAA P10253 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
HTT P42858 2/20 0.33
KMT2A Q03164 2/20 0.33
PTPN9 P43378 1/20 0.33
MAPT P10636 2/20 0.33

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
SCHEMBL22444756 0.90 TSHR (0.46) TSHRGABRA1GABRB2POLBPTPN2
SCHEMBL22444743 0.88 TSHR (0.44) TSHRGABRA1GABRB2POLBLMNA
SCHEMBL28656685 0.88 TSHR (0.47) TSHRGABRA1GABRB2POLBPTPN2
SCHEMBL22444453 0.87 TSHR (0.43) TSHRGABRA1GABRB2POLBLMNA
SCHEMBL369707 0.87 TSHR (0.43) TSHRGABRA1GABRB2POLBLMNA
SCHEMBL8524308 0.87 TSHR (0.43) TSHRGABRA1GABRB2POLBLMNA
SCHEMBL22444758 0.87 TSHR (0.43) TSHRGABRA1GABRB2POLBLMNA
SCHEMBL10636536 0.85 TSHR (0.42) TSHRGABRA1GABRB2POLBLMNA
SCHEMBL22444462 0.85 TSHR (0.57) TSHRGABRA1GABRB2POLBPTPN2
SCHEMBL25271814 0.85 TSHR (0.44) TSHRGABRA1GABRB2POLBLMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4446310-A1 METHOD FOR PRODUCING BLOCKED ISOCYANATE COMPOUND AND METHOD FOR PRODUCING ISOCYANATE COMPOUND Asahi Kasei Kabushiki Kaisha (JP) 2024-10-16 EP disclosed
CN-118382612-A Method for producing blocked isocyanate compound and method for producing isocyanate compound 旭化成株式会社 2024-07-23 CN disclosed
CN-113574041-B Bisphenol production method and polycarbonate resin production method 三菱化学株式会社 2023-10-13 CN disclosed
WO-2023106377-A1 METHOD FOR PRODUCING BLOCKED ISOCYANATE COMPOUND AND METHOD FOR PRODUCING ISOCYANATE COMPOUND 旭化成株式会社 2023-06-15 WO disclosed
CN-113574041-A Method for producing bisphenol and method for producing polycarbonate resin 三菱化学株式会社 2021-10-29 CN disclosed
WO-2020189201-A1 METHOD FOR PRODUCING BISPHENOL AND METHOD FOR PRODUCING POLYCARBONATE RESIN 三菱ケミカル株式会社 2020-09-24 WO disclosed