SCHEMBL29633478

SCHEMBL29633478

[Sn].[Ti]C1C=Cc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.40
HTR6 P50406 1/20 0.39
SIGMAR1 Q99720 6/20 0.33
KDM4E B2RXH2 2/20 0.32
CYP2D6 P10635 2/20 0.32
BRD4 O60885 1/20 0.32
CCL2 P13500 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
CHRM2 P08172 1/20 0.32
CYP3A4 P08684 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD2 P14416 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
NFKB1 P19838 1/20 0.32
CHRM3 P20309 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32

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
SCHEMBL29645065 0.98 HTR2A (0.41) HTR2AHTR6SIGMAR1KDM4ECYP2D6
SCHEMBL5888461 0.98 HTR2A (0.41) HTR2AHTR6SIGMAR1KDM4ECYP2D6
Hydrochloric Acid SCHEMBL1929585 0.95 HTR2A (0.40) HTR2AHTR6SIGMAR1KDM4ECYP2D6
Hydrochloric Acid SCHEMBL4855724 0.95 HTR2A (0.40) HTR2AHTR6SIGMAR1KDM4ECYP2D6
Fluoride SCHEMBL7560410 0.95 HTR2A (0.40) HTR2AHTR6SIGMAR1KDM4ECYP2D6
Bromide SCHEMBL7531587 0.95 HTR2A (0.40) HTR2AHTR6SIGMAR1KDM4ECYP2D6
Methyl Alcohol SCHEMBL5277893 0.91 HTR2A (0.38) HTR2AHTR6SIGMAR1KDM4ECYP2D6
Dimethylamine SCHEMBL4622746 0.89 KDM4E (0.41) HTR2AHTR6SIGMAR1KDM4ECYP2D6
Alcohol SCHEMBL8155328 0.86 HTR2A (0.38) HTR2AHTR6SIGMAR1KDM4ECYP2D6
Phenol SCHEMBL5277434 0.86 CA12 (0.42) HTR2AHTR6SIGMAR1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4244263-A1 PREPARATION OF NON-POLAR-POLAR BLOCK COPOLYMERS VIA VINYL-TERMINATED POLYOLEFINS Dow Global Technologies LLC (US) 2023-09-20 EP disclosed
WO-2022103803-A1 PREPARATION OF NON-POLAR–POLAR BLOCK COPOLYMERS VIA VINYL-TERMINATED POLYOLEFINS DOW GLOBAL TECHNOLOGIES LLC (US) 2022-05-19 WO disclosed