SCHEMBL8712413

SCHEMBL8712413

C1=CCC([Hf+](Cc2ccccc2)C2=CC=CC2)=C1.[H-]

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.32
SLC6A2 P23975 2/20 0.31
TAAR1 Q96RJ0 2/20 0.31
MAOA P21397 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
CYP2A6 P11509 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
CALM1 P0DP23 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
Hydrochloric Acid SCHEMBL8719306 0.96 KDM4E (0.32) TP53CALM1
SCHEMBL8714416 0.91 TP53 (0.33) TP53
SCHEMBL6362827 0.71
SCHEMBL8711725 0.71
Bromide SCHEMBL9077680 0.70
Hydrochloric Acid SCHEMBL8715774 0.67
Hydrochloric Acid SCHEMBL6362833 0.67
Bromide SCHEMBL9079519 0.67
SCHEMBL8715753 0.66
SCHEMBL8712206 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0669346-B1 Solid catalyst components for olefin polymerization and use thereof NIPPON OIL CO LTD (JP) 1998-06-03 EP disclosed
US-5604170-A EFFECTIVE CATALYST SUPPORT SATISFYING CERTAIN REQUISITES: PARTICLE DIAMETER, SPECIFIC SURFACE AREA, PORE VOLUME, SPECIFIC GRAVITY; SUBJECTED TO ULTRASONIC DISINTEGRATION NIPPON OIL COMPANY, LIMITED (JP) 1997-02-18 US disclosed
EP-0669346-A1 Solid catalyst components for olefin polymerization and use thereof NIPPON OIL CO. LTD. (JP) 1995-08-30 EP disclosed