SCHEMBL9341880

SCHEMBL9341880

[CH2]CCOCCOCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
NAAA Q02083 1/20 0.53
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
IDO1 P14902 1/20 0.43
LTA4H P09960 1/20 0.42
AGXT P21549 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TACR1 P25103 2/20 0.39

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
SCHEMBL58359 0.96 TSHR (0.64) TSHRNAAACA1CA2CA7
SCHEMBL20305199 0.92 TSHR (0.54) TSHRNAAACA1CA2CA7
SCHEMBL26189828 0.89 TSHR (0.74) TSHRNAAACA1CA2CA7
SCHEMBL3701483 0.89 TSHR (0.74) TSHRNAAACA1CA2CA7
SCHEMBL4608747 0.89 TSHR (0.74) TSHRNAAACA1CA2CA7
SCHEMBL9505432 0.89 TSHR (0.74) TSHRNAAACA1CA2CA7
SCHEMBL10895400 0.89 TSHR (0.74) TSHRNAAACA1CA2CA7
SCHEMBL27710140 0.89 TSHR (0.74) TSHRNAAACA1CA2CA7
SCHEMBL28364886 0.88 TSHR (0.54) TSHRNAAACA1CA2CA7
SCHEMBL23441237 0.87 TSHR (0.58) TSHRNAAACA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0390024-B1 Azodyes with a diazo component of the aminobenzoisothiazole series BASF AG (DE) 1994-06-08 EP disclosed
EP-0315899-B1 THIEN-3-YL AZO DYES BASF Aktiengesellschaft (DE) 1993-04-07 EP disclosed
EP-0315898-B1 ISOTHIAZOLE AZO DYES BASF Aktiengesellschaft (DE) 1993-01-20 EP disclosed
US-5175265-A Useful for dyeing synthetic fibers, such as polyamides, polyesters and cellulose esters BASF AKTIENGESELLSCHAFT (DE) 1992-12-29 US disclosed
US-4994564-A Dyeing synthetic fibers in shades of red, yellow BASF AKTIENGESELLSCHAFT (DE) 1991-02-19 US disclosed
EP-0390024-A1 Azodyes with a diazo component of the aminobenzoisothiazole series BASF Aktiengesellschaft (DE) 1990-10-03 EP disclosed
US-4929720-A YELLOW DYES FOR SYNTHETIC FIBERS BASF AKTIENGESELLSCHAFT (DE) 1990-05-29 US disclosed
EP-0315898-A2 Isothiazole azo dyes BASF Aktiengesellschaft (DE) 1989-05-17 EP disclosed
EP-0315899-A2 Thien-3-yl azo dyes BASF Aktiengesellschaft (DE) 1989-05-17 EP disclosed