SCHEMBL8680628

SCHEMBL8680628

C1=CC2(Oc3ccccc31)Oc1c(ccc3ccccc13)C=C2c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL8680334 0.95 ADRA1D (0.33) ADRA1DADRA1AADRA1B
SCHEMBL8682755 0.91 CA12 (0.31)
SCHEMBL8680314 0.87 KDM4E (0.40) HTT
SCHEMBL8680942 0.84 KDM4E (0.36) HTT
SCHEMBL8680420 0.84 KDM4E (0.39) ADRA1DADRA1AADRA1BHTR2CHTR2B
SCHEMBL8685158 0.83 HTR2C (0.41) HTR2CHTR2BHTTNPSR1
SCHEMBL8680556 0.81 KDM4E (0.44) ADRA1DADRA1AADRA1BHTT
SCHEMBL8680620 0.78 ADRA1D (0.33) ADRA1DADRA1AADRA1BHTR2CHTR2B
SCHEMBL8680037 0.76 ADRA1D (0.36) ADRA1DADRA1AADRA1BHTTNPSR1
SCHEMBL8680618 0.73 ADRA1D (0.40) ADRA1DADRA1AADRA1BHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5759729-A A DRY TONER COMPRISING A RESIN, PHOTOCHROMATIC SPIROPYRAN, -OXAZINE OR -THIOPYRAN DYE AND A CHARGE CONTROL AGENT;ELECTROGRAPHY; XEROGRAPHY XEROX CORPORATION (US) 1998-06-02 US claimed
US-5759729-A A DRY TONER COMPRISING A RESIN, PHOTOCHROMATIC SPIROPYRAN, -OXAZINE OR -THIOPYRAN DYE AND A CHARGE CONTROL AGENT;ELECTROGRAPHY; XEROGRAPHY XEROX CORPORATION (US) 1998-06-02 US disclosed
US-5633109-A Ink compositions with liposomes containing photochromic compounds XEROX CORPORATION (US) 1997-05-27 US disclosed
US-5593486-A Photochromic hot melt ink compositions XEROX CORPORATION (US) 1997-01-14 US disclosed
US-5551973-A LIQUID CRYSTAL GEL PHASE, MICROEMULSION PHASE XEROX CORPORATION (US) 1996-09-03 US disclosed