SCHEMBL3108730

SCHEMBL3108730

Oc1cccc(N(c2ccc(-c3ccc(N(c4cccc(O)c4)c4cccc(O)c4)cc3)cc2)c2cccc(O)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 12/20 0.54
HSD17B2 P37059 12/20 0.54
CYP3A4 P08684 4/20 0.54
CYP2C9 P11712 2/20 0.54
ALDH1A1 P00352 4/20 0.54
TSHR P16473 2/20 0.54
CA12 O43570 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
LMNA P02545 1/20 0.46
CA5A P35218 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
ESR1 P03372 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ESR2 Q92731 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL504209 0.96 HSD17B1 (0.50) HSD17B1HSD17B2CYP3A4CYP2C9ALDH1A1
SCHEMBL223856 0.96 HSD17B1 (0.50) HSD17B1HSD17B2CYP3A4CYP2C9ALDH1A1
SCHEMBL913348 0.96 HSD17B1 (0.50) HSD17B1HSD17B2CYP3A4CYP2C9ALDH1A1
Water SCHEMBL913259 0.94 CYP3A4 (0.48) HSD17B1HSD17B2CYP3A4CYP2C9ALDH1A1
SCHEMBL9136317 0.94 HSD17B1 (0.54) HSD17B1HSD17B2CYP3A4CYP2C9ALDH1A1
SCHEMBL2623461 0.94 HSD17B1 (0.54) HSD17B1HSD17B2CYP3A4CYP2C9ALDH1A1
SCHEMBL13104514 0.92 HSD17B1 (0.53) HSD17B1HSD17B2CYP3A4CYP2C9ALDH1A1
Bicarbonate SCHEMBL9000318 0.91 ALDH1A1 (0.46) HSD17B1HSD17B2CYP3A4CYP2C9ALDH1A1
SCHEMBL1726068 0.91 ALDH1A1 (0.53) HSD17B1HSD17B2CYP3A4CYP2C9ALDH1A1
SCHEMBL19192998 0.89 ACHE (0.53) HSD17B1HSD17B2CYP3A4CYP2C9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7799497-B2 Silanol containing overcoated photoconductors XEROX CORPORATION (US) 2010-09-21 US claimed
US-7592110-B2 Polyhydroxy siloxane photoconductors XEROX CORPORATION (US) 2009-09-22 US claimed
US-20080193866-A1 Polyhydroxy siloxane photoconductors XEROX CORPORATION 2008-08-14 US claimed
US-20080107985-A1 Silanol containing overcoated photoconductors XEROX CORPORATION 2008-05-08 US claimed
EP-0660191-B1 Layered photoreceptor with overcoatings containing hydrogen bonded materials XEROX CORP (US) 1998-10-21 EP claimed
US-5436099-A Photoreceptor with low surface energy overcoat XEROX CORPORATION (US) 1995-07-25 US claimed
EP-0660191-A1 Layered photoreceptor with overcoatings containing hydrogen bonded materials XEROX CORPORATION (US) 1995-06-28 EP claimed
US-5368967-A Layered photoreceptor with overcoat containing hydrogen bonded materials XEROX CORPORATION (US) 1994-11-29 US claimed
US-5011939-A Hydroxy functionalized arylamine compounds XEROX CORPORATION (US) 1991-04-30 US claimed
US-10461269-B2 Crosslinkable, /polymerizable and combinations thereof charge-transporting molecular glass mixtures, luminescent molecular glass mixtures, or combinations thereof for organic light emitting diodes and other organic electronics and photonics applications and method of making same MOLECULAR GLASSES, INC. (US) 2019-10-29 US disclosed
US-9859505-B2 Charge-transporting molecular glass mixtures, luminescent molecular glass mixtures, or combinations thereof or organic light emitting diodes and other organic electronics and photonics applications MOLECULAR GLASSES, INC. (US) 2018-01-02 US disclosed
US-20150179714-A1 Crosslinkable, /Polymerizable and Combinations Thereof Charge-transporting Molecular Glass Mixtures, Luminescent Molecular Glass Mixtures, or Combinations Thereof for Organic Light Emitting Diodes and other Organic Electronics and Photonics Applications and Mothod of Making Same. Molaire Consulting 2015-06-25 US disclosed
US-20150053894-A1 Charge-transporting Molecular Glass Mixtures, Luminescent Molecular Glass Mixtures, or Combinations Thereof for Organic Light Emitting Diodes and other Organic Electronics and Photonics Applications Molaire Consulting 2015-02-26 US disclosed
US-7833683-B2 Photosensitive member having an overcoat XEROX CORPORATION (US) 2010-11-16 US disclosed
US-5368967-A Layered photoreceptor with overcoat containing hydrogen bonded materials XEROX CORPORATION (US) 1994-11-29 US disclosed
EP-0295115-B1 ARYLAMINE COMPOUNDS XEROX CORPORATION (US) 1992-06-24 EP disclosed
US-5011939-A Hydroxy functionalized arylamine compounds XEROX CORPORATION (US) 1991-04-30 US disclosed
US-4895783-A SOLVENT RESISTANCE, WEAR RESISTANCE XEROX CORPORATION (US) 1990-01-23 US disclosed
US-4871634-A Electrophotographic elements using hydroxy functionalized arylamine compounds XEROX CORPORATION (US) 1989-10-03 US disclosed
EP-0295115-A2 Arylamine compounds XEROX CORPORATION (US) 1988-12-14 EP disclosed