SCHEMBL8400149

SCHEMBL8400149

FC1(F)Oc2cccc(C(Cl)Cl)c2O1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.32
MPO P05164 1/20 0.32
DOT1L Q8TEK3 1/20 0.31
ADORA2A P29274 1/20 0.30
GPR3 P46089 1/20 0.30
FFAR4 Q5NUL3 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
SCHEMBL14033237 0.82 TSHR (0.31)
SCHEMBL9962275 0.81 GABRA1 (0.38) IDO1MPODOT1LADORA2AGPR3
SCHEMBL8400006 0.79 AHR (0.31)
SCHEMBL23232390 0.79 CYP1A2 (0.38) IDO1MPODOT1LADORA2A
SCHEMBL3704838 0.79 CYP1A2 (0.38) IDO1MPODOT1LADORA2A
Hydrochloric Acid SCHEMBL3697431 0.77 ALDH1A1 (0.40) IDO1MPODOT1LADORA2A
SCHEMBL18500388 0.77 IDO1 (0.37) IDO1MPOADORA2AFFAR4
SCHEMBL31177508 0.76 MPO (0.32) MPOADORA2AFFAR4
SCHEMBL18856202 0.76 MPO (0.32) IDO1MPOGPR3
SCHEMBL8951956 0.75 IDO1 (0.32) IDO1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0759433-B1 Process for the preparation of 2,2-difluorobenzo[1.3]dioxolcarbaldehydes BAYER AG (DE) 1999-06-16 EP claimed
US-5637737-A Process for the preparation of 2,2-difluorobenzo[1.3]dioxolecarbaldehydes BAYER AKTIENGESELLSCHAFT (DE) 1997-06-10 US claimed
EP-0759433-A1 Process for the preparation of 2,2-difluorobenzo(1.3) dioxolcarbaldehydes BAYER AG (DE) 1997-02-26 EP claimed
EP-0537517-B1 Method for the preparation of 2,2-difluorobenzo(1,3)dioxolecarbaldehydes and intermediates BAYER AG (DE) 1997-01-22 EP claimed
US-5525739-A Process for the preparation of 2,2-difluorobenzo[1,3]-dioxole-carbaldehydes and new intermediate products BAYER AKTIENGESELLSCHAFT (DE) 1996-06-11 US claimed
EP-0537517-A1 Method for the preparation of 2,2-difluorobenzo(1,3)dioxolecarbaldehydes and intermediates BAYER AG (DE) 1993-04-21 EP claimed
JP-9067366-A None JP disclosed
JP-5194478-A None JP disclosed
EP-0759433-B1 Process for the preparation of 2,2-difluorobenzo[1.3]dioxolcarbaldehydes BAYER AG (DE) 1999-06-16 EP disclosed
US-5637737-A Process for the preparation of 2,2-difluorobenzo[1.3]dioxolecarbaldehydes BAYER AKTIENGESELLSCHAFT (DE) 1997-06-10 US disclosed
US-5637737-A Process for the preparation of 2,2-difluorobenzo[1.3]dioxolecarbaldehydes BAYER AKTIENGESELLSCHAFT (DE) 1997-06-10 US disclosed
JP-H0967366-A PRODUCTION OF 2,2-DIFLUOROBENZO(1.3)DIOXOLCARBALDEHYDE COMPOUNDS BAYER AG 1997-03-11 JP disclosed
EP-0759433-A1 Process for the preparation of 2,2-difluorobenzo(1.3) dioxolcarbaldehydes BAYER AG (DE) 1997-02-26 EP disclosed
US-5525739-A Process for the preparation of 2,2-difluorobenzo[1,3]-dioxole-carbaldehydes and new intermediate products BAYER AKTIENGESELLSCHAFT (DE) 1996-06-11 US disclosed
US-5525739-A Process for the preparation of 2,2-difluorobenzo[1,3]-dioxole-carbaldehydes and new intermediate products BAYER AKTIENGESELLSCHAFT (DE) 1996-06-11 US disclosed
US-5420308-A 2,2-difluorobenzo (1,3)-dioxole-carbaldehydes and new intermediate products BAYER AKTIENGESELLSCHAFT (DE) 1995-05-30 US disclosed
US-5420308-A 2,2-difluorobenzo (1,3)-dioxole-carbaldehydes and new intermediate products BAYER AKTIENGESELLSCHAFT (DE) 1995-05-30 US disclosed
JP-H05194478-A PRODUCTION OF 2,2-DIFLUOROBENZO(1,3)-DIOXYOLE-CARBALDEHYDE AND NEW INTERMEDIATE PRODUCT BAYER AG 1993-08-03 JP disclosed
EP-0537517-A1 Method for the preparation of 2,2-difluorobenzo(1,3)dioxolecarbaldehydes and intermediates BAYER AG (DE) 1993-04-21 EP disclosed
EP-0537517-A1 Method for the preparation of 2,2-difluorobenzo(1,3)dioxolecarbaldehydes and intermediates BAYER AG (DE) 1993-04-21 EP disclosed