SCHEMBL8401210

SCHEMBL8401210

CCCCOCCOCCCOC(C)=O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.78
TSHR P16473 7/20 0.56
ATM Q13315 1/20 0.48
CYP3A4 P08684 1/20 0.47
CES2 O00748 1/20 0.45
HPGD P15428 1/20 0.45
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.43
HCAR2 Q8TDS4 1/20 0.42
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NAAA Q02083 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RARB P10826 1/20 0.40
PGR P06401 1/20 0.40
CHRM2 P08172 1/20 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
SCHEMBL25633847 1.00 ALDH1A1 (0.78) ALDH1A1TSHRATMCYP3A4CES2
SCHEMBL13034068 0.98 ALDH1A1 (0.82) ALDH1A1TSHRATMCYP3A4CES2
SCHEMBL2722997 0.98 ALDH1A1 (0.82) ALDH1A1TSHRATMCYP3A4CES2
Acetic Acid Butyl Ester SCHEMBL10478840 0.96 ALDH1A1 (0.78) ALDH1A1TSHRATMCYP3A4CES2
Acetic Acid Butyl Ester SCHEMBL28064789 0.96 ALDH1A1 (0.86) ALDH1A1TSHRATMCYP3A4CES2
SCHEMBL10893909 0.93 ALDH1A1 (0.82) ALDH1A1TSHRATMCES2HPGD
SCHEMBL22372 0.93 ALDH1A1 (0.74) ALDH1A1TSHRATMCYP3A4CES2
SCHEMBL8125550 0.93 ALDH1A1 (0.74) ALDH1A1TSHRATMCYP3A4CES2
SCHEMBL2702326 0.93 ALDH1A1 (0.74) ALDH1A1TSHRATMCYP3A4CES2
SCHEMBL48354 0.93 ALDH1A1 (0.74) ALDH1A1TSHRATMCYP3A4CES2

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5242893-A Bactericides and algicides ROHM AND HAAS COMPANY (US) 1993-09-07 US claimed
EP-0399724-A1 Bismuth salt stabilizers for 3-isothiazolones ROHM AND HAAS COMPANY (US) 1990-11-28 EP claimed
EP-0530986-B1 Nitrogen-based stabilizers for 3-isothiazolones ROHM & HAAS (US) 1999-06-09 EP disclosed
EP-0435439-B2 Aldehyde stabilizers for 3-isothiazolones ROHM & HAAS (US) 1997-08-20 EP disclosed
EP-0491501-B1 The use of hydrazide stabilizers for 3-isothiazolones ROHM & HAAS (US) 1996-07-10 EP disclosed
US-5424324-A Stabilized microbiocides ROHM AND HAAS COMPANY (US) 1995-06-13 US disclosed
US-5342836-A Protecting against chemical degradation by incorporating s-triazine, dimethyl oxime, pyridine or pyridine oxide ROHM AND HAAS COMPANY (US) 1994-08-30 US disclosed
EP-0411750-B1 Organic stabilizers for isothiazolones ROHM & HAAS (US) 1994-05-04 EP disclosed
EP-0377487-B1 Microbicidal compositions ROHM & HAAS (US) 1994-03-09 EP disclosed
US-5242893-A Bactericides and algicides ROHM AND HAAS COMPANY (US) 1993-09-07 US disclosed
EP-0447041-B1 THE USE OF HEXAMETHYLENETETRAMINE AS A STABILIZER FOR 3-ISOTHIAZOLONES ROHM AND HAAS COMPANY (US) 1993-08-11 EP disclosed
US-5049677-A Bactericides, fungicides, algaecides ROHM AND HAAS COMPANY (US) 1991-09-17 US disclosed
EP-0443821-A1 Sulphur-based stabilizers for 3-isothiazolones ROHM AND HAAS COMPANY (US) 1991-08-28 EP disclosed
EP-0435439-A2 Aldehyde stabilizers for 3-isothiazolones ROHM AND HAAS COMPANY (US) 1991-07-03 EP disclosed
EP-0411750-A2 Organic stabilizers for isothiazolones ROHM AND HAAS COMPANY (US) 1991-02-06 EP disclosed
EP-0399724-A1 Bismuth salt stabilizers for 3-isothiazolones ROHM AND HAAS COMPANY (US) 1990-11-28 EP disclosed
EP-0377487-A1 Microbicidal compositions ROHM AND HAAS COMPANY (US) 1990-07-11 EP disclosed
US-4906274-A Organic stabilizers ROHM AND HAAS COMPANY (US) 1990-03-06 US disclosed
EP-0342852-A1 Organic stabilizers ROHM AND HAAS COMPANY (US) 1989-11-23 EP disclosed
EP-0315464-A1 Stabilized isothiazolone compositions ROHM AND HAAS COMPANY (US) 1989-05-10 EP disclosed