Phenol

Phenol

SCHEMBL1994063

CCCC[N+](CCCC)(CCCC)CCCC#N.[O-]c1ccccc1

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
SLC22A1 O15245 3/20 0.39
HTT P42858 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
DNM1 Q05193 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
TP53 P04637 2/20 0.35
MAPK1 P28482 1/20 0.35
SLC22A2 O15244 1/20 0.34
CNR2 P34972 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MLNR O43193 1/20 0.33
NR1I2 O75469 1/20 0.33
ESR1 P03372 1/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
ADRB2 P07550 1/20 0.33
CHRM2 P08172 1/20 0.33
ADRB1 P08588 1/20 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
Tetrabuthylammonium SCHEMBL887137 0.86 SLC22A1 (0.52) TSHRSLC22A1HTTMEN1KMT2A
Tetrapentylammonium SCHEMBL7931037 0.82 SLC22A1 (0.52) TSHRSLC22A1HTTMEN1KMT2A
Phenol SCHEMBL3860436 0.81 SLC22A1 (0.54) TSHRSLC22A1HTTMEN1KMT2A
SCHEMBL2935402 0.80 TSHR (0.62) TSHRSLC22A1DNM1SMN1; SMN2TP53
Tetrabuthylammonium SCHEMBL22089637 0.78 SLC22A1 (0.43) SLC22A1MEN1KMT2ADNM1SMN1; SMN2
Tetrapropylammonium SCHEMBL5874252 0.74 SLC22A1 (0.48) SLC22A1HTTMEN1KMT2ADNM1
SCHEMBL3629654 0.74 TSHR (0.59) TSHRSLC22A1DNM1SMN1; SMN2TP53
Biphenyl SCHEMBL9561058 0.73 TSHR (0.52) TSHRHTTSMN1; SMN2ALDH1A1HSD17B10
Tributylmethylammonium SCHEMBL6468591 0.73 DNM1 (0.43) HTTMEN1KMT2ADNM1SMN1; SMN2
Tetrabuthylammonium SCHEMBL28129614 0.73 TSHR (0.56) TSHRSLC22A1DNM1SMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1742976-B1 LOW-VISCOSITY ALLOPHANATES HAVING ACTINICALLY HARDENABLE GROUPS BAYER MATERIALSCIENCE AG (DE) 2010-09-15 EP claimed
US-7381785-B2 Preparation of new radiation-curing binders BAYER METERIALSCIENCE AG (DE) 2008-06-03 US claimed
US-7361723-B2 Low-viscosity allophanates containing actinically curable groups BAYER MATERIALSCIENCE AG (DE) 2008-04-22 US claimed
US-20050209427-A1 Low-viscosity allophanates containing actinically curable groups BAYER MATERIALSCIENCE AG 2005-09-22 US claimed
US-20050209361-A1 Preparation of new radiation-curing binders BAYER MATERIALSCIENCE AG 2005-09-22 US claimed
US-7960446-B2 binders containing allophanate groups having active double bonds; reaction with uretdiones; quaternary ammonium phenoxide catalyst; polyurethane coatings BAYER MATERIALSCIENCE AG (DE) 2011-06-14 US disclosed
US-20080214691-A1 Low-viscosity allophanates containing actinically curable groups ALLNEX NETHERLANDS B.V. (NL) 2008-09-04 US disclosed
US-7381785-B2 Preparation of new radiation-curing binders BAYER METERIALSCIENCE AG (DE) 2008-06-03 US disclosed
US-7361723-B2 Low-viscosity allophanates containing actinically curable groups BAYER MATERIALSCIENCE AG (DE) 2008-04-22 US disclosed
US-20050209427-A1 Low-viscosity allophanates containing actinically curable groups BAYER MATERIALSCIENCE AG 2005-09-22 US disclosed
US-20050209361-A1 Preparation of new radiation-curing binders BAYER MATERIALSCIENCE AG 2005-09-22 US disclosed