Sugi Predict

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Phenol

Phenol

SCHEMBL106766

CC(Br)(CBr)COC[C@](C)(Br)CBr.CC(Br)(CBr)COC[C@](C)(Br)CBr.Oc1cc(Br)c(Br)c(Br)c1Br.Oc1ccccc1

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 1/20 0.32
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ CA3 P07451 1/20 0.31
▸ CA4 P22748 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ CA14 Q9ULX7 1/20 0.31
▸ ESR1 P03372 2/20 0.30
▸ ESR2 Q92731 2/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ TACR1 P25103 1/20 0.30
▸ ALOX15 P16050 1/20 0.30

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
Phenol SCHEMBL17583943 0.83 CA12 (0.44) CA12CA1CA2GLACA3
Phenol SCHEMBL131554 0.83 CA12 (0.44) CA12CA1CA2GLACA3
Phenol SCHEMBL17584004 0.82 TDP1 (0.34) CA12CA1CA2GLACA3
Phenol SCHEMBL11573677 0.80 CA12 (0.41) NQO2CA12CA1CA2GLA
Phenol SCHEMBL9746501 0.80 CA2 (0.48) NQO2CA12CA1CA2GLA
Phenol SCHEMBL5611358 0.77 NQO2 (0.33) NQO2CA12CA1CA2GLA
Phenol SCHEMBL7200501 0.75 ALDH1A1 (0.32) NQO2CA12CA1CA2GLA
Ethane SCHEMBL10514068 0.67 PTPN1 (0.43) NQO2CA1CA2CA4TDP1
SCHEMBL144299 0.67 PTPN1 (0.46) NQO2CA1CA2CA4TDP1
SCHEMBL30479640 0.67 PTPN1 (0.46) NQO2CA1CA2CA4TDP1

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-2426165-B1 FLAME-RETARDANT EXPANDABLE STYRENE RESIN COMPOSITION DAI ICHI KOGYO SEIYAKU CO LTD (JP) 2016-06-29 — — EP claimed
EP-2426165-B1 FLAME-RETARDANT EXPANDABLE STYRENE RESIN COMPOSITION DAI ICHI KOGYO SEIYAKU CO LTD (JP) 2016-06-29 — — EP disclosed
US-9187607-B2 Flame-retarded foamable styrene-based resin compositions DAI-ICHI KOGYO SEIYAKU, CO., LTD. (JP) 2015-11-17 — — US disclosed
US-20130245142-A1 METHOD FOR PRODUCING EXTRUDED POLYSTYRENE RESIN HEAT-INSULATING FOAM BOARD JSP CORPORATION (JP) 2013-09-19 — — US disclosed
EP-2639260-A1 Method for producing extruded polystyrene resin heat-insulating foam board JSP CORPORATION (JP) 2013-09-18 — — EP disclosed
EP-2426165-A1 FLAME-RETARDANT EXPANDABLE STYRENE RESIN COMPOSITION Dai-Ichi Kogyo Seiyaku Co., Ltd. (JP) 2012-03-07 — — EP disclosed