SCHEMBL8194133

SCHEMBL8194133

CC1=Cc2c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cccc2C1[Hf](C1C(C)=Cc2c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cccc21)[SiH](C)C

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.40
HTR7 P34969 2/20 0.40
RXRA P19793 1/20 0.31
RXRB P28702 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
SCHEMBL14142331 0.89 RXRA (0.30) RXRARXRB
SCHEMBL29032467 0.81 HTR1A (0.38) HTR1AHTR7RXRARXRB
SCHEMBL2234118 0.80 PDCD1 (0.32) HTR1AHTR7
SCHEMBL29556985 0.80 PDCD1 (0.32) HTR1AHTR7
SCHEMBL2235436 0.80 BRD4 (0.32)
SCHEMBL2233080 0.79 EDNRB (0.30)
Hydrochloric Acid SCHEMBL2231317 0.79 PDCD1 (0.31) HTR1AHTR7
Hydrochloric Acid SCHEMBL2232394 0.79 BRD4 (0.31)
SCHEMBL5837617 0.79 HTR1A (0.38) HTR1AHTR7RXRARXRB
Hydrochloric Acid SCHEMBL2233740 0.78

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
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-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