SCHEMBL8204448

SCHEMBL8204448

CC1=Cc2c(-c3cccc4ccccc34)cccc2C1[Hf](C1C(C)=Cc2c(-c3cccc4ccccc34)cccc21)[SiH](C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.34
HTR7 P34969 3/20 0.33
HTR1A P08908 2/20 0.33
ENPP3 O14638 1/20 0.33
ENPP1 P22413 1/20 0.33
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP2A6 P11509 1/20 0.32
MAPT P10636 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
KDM4E B2RXH2 2/20 0.31
TDP2 O95551 1/20 0.31
HPGD P15428 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
SCHEMBL2233194 0.85 PBRM1 (0.31)
Hydrochloric Acid SCHEMBL6438032 0.85 KDM4E (0.34) ALDH1A1CYP2A6MAPTRAB9AKDM4E
Hydrochloric Acid SCHEMBL2233518 0.83 PBRM1 (0.31)
SCHEMBL4094237 0.83 HTR7 (0.36) DHFRHTR7HTR1AENPP3ENPP1
SCHEMBL8617479 0.83 ALDH1A1 (0.35) HTR7HTR1AENPP3ENPP1CA12
SCHEMBL20815319 0.83 HTR7 (0.33) HTR7HTR1AKDM4E
SCHEMBL5890182 0.82 KDM4E (0.35) HTR7HTR1AENPP3ENPP1CA12
SCHEMBL5890131 0.82 NPC1 (0.34) HTR7HTR1AMAPTNPC1RAB9A
SCHEMBL5890447 0.82 HTR1A (0.30) HTR7HTR1A
SCHEMBL2234118 0.82 PDCD1 (0.32) HTR7HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6136993-A CONTACTING IN GROUP 4 METAL COMPLEX OR ITS LEWIS BASE ADDUCT WITH METAL COMPLEX, RECOVERING RESULTING PRODUCT THE DOW CHEMICAL COMPANY (US) 2000-10-24 US claimed
US-20250026927-A1 Propylene-Based Blend Compositions EXXONMOBIL TECHNOLOGY & ENGINEERING COMPANY (US) 2025-01-23 US disclosed
US-6136993-A CONTACTING IN GROUP 4 METAL COMPLEX OR ITS LEWIS BASE ADDUCT WITH METAL COMPLEX, RECOVERING RESULTING PRODUCT THE DOW CHEMICAL COMPANY (US) 2000-10-24 US disclosed
US-6084115-A METAL DIENE-CONTAINING COMPLEXES BY REACTION WITH THE DIVALENT DERIVATIVE OF A BRIDGED BIDENTATE LIGAND; METALLOCENES; RACEMIC ISOMER USED TO PREPARE ISOTACTIC POLYOLEFINS, E.G., CRYSTALLINE POLYPROPYLENE. THE DOW CHEMICAL COMPANY (US) 2000-07-04 US disclosed