SCHEMBL4639405

SCHEMBL4639405

FC(F)(N1CCCCC1)N1CCCCC1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2B6 P20813 1/20 0.32
MGLL Q99685 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
SCHEMBL4605059 0.96
SCHEMBL696562 0.79 CYP2B6 (0.32) CYP2B6MGLL
SCHEMBL5390320 0.79 CYP2B6 (0.32) CYP2B6MGLL
Ammonia Solution, Strong SCHEMBL31168140 0.76 CYP2B6 (0.31) CYP2B6
Bromide SCHEMBL29204968 0.76 CYP2B6 (0.31) CYP2B6
Hydrochloric Acid SCHEMBL1507301 0.76 CYP2B6 (0.31) CYP2B6
SCHEMBL6394107 0.76 CYP2B6 (0.41) CYP2B6
Hydrochloric Acid SCHEMBL9035395 0.76 CYP2B6 (0.31) CYP2B6
SCHEMBL518019 0.74
SCHEMBL7048888 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0895991-B1 Halogenating agent MITSUI CHEMICALS INC (JP) 2008-07-09 EP disclosed
US-6686509-B2 Process for producing α, α-difluorocycloalkane compound MITSUI CHEMICALS, INC. (JP) 2004-02-03 US disclosed
US-6632949-B2 Difluoro-diamine methylene derivatives MITSUI CHEMICALS, INC. (JP) 2003-10-14 US disclosed
US-20030078460-A1 Process for producing alpha, alpha-difluorocycloalkane compound MITSUI CHEMICALS, INC. (JP) 2003-04-24 US disclosed
US-20030004348-A1 Halogenating agents SONODA HIROSHI (JP) 2003-01-02 US disclosed
US-6458990-B1 BIS(DIHYDROCARBYLAMINO)DIFLUOROMETHANE OR CYCLIC DERIVATIVES THEREOF; FORMING BY REACTING ALKALI METAL HALIDE WITH THE CORRESPONDING AMIDINIUM SALT; FLUORINATION OF ALCOHOLS, THIOPHENOLS, ALDEHYDES, AND KETONES MITSUI CHEMICALS, INC. (JP) 2002-10-01 US disclosed
EP-0949226-B1 Process for the preparation of acetylene derivatives MITSUI CHEMICALS INC (JP) 2002-07-17 EP disclosed
US-20020042521-A1 Nitrogen-based halogenating agents and process for preparing halogen-containing compounds SONODA HIROSHI (JP) 2002-04-11 US disclosed
US-6344579-B1 REACTION OF FLUOROSILICON COMPOUND WITH REACTION OF SILICON WITH HYDROXY, ALKOXY OR ARYLOXY GROUP WITH DIFLUORODIAMINO COMPOUND MITSUI CHEMICALS, INC. (JP) 2002-02-05 US disclosed
US-6329529-B1 FOR FLUORINATING OF ORGANIC COMPOUNDS, EFFICIENCY, POLLUTION CONTROL MITSUI CHEMICALS, INC. (JP) 2001-12-11 US disclosed
EP-1138633-A1 PROCESS FOR PRODUCING FLUORINATED SILICON COMPOUND Mitsui Chemicals, Inc. (JP) 2001-10-04 EP disclosed
US-6242654-B1 REACTING A PHENOLATE COMPOUND WITH AN ORGANIC FLUORINATING AGENT TO PREPARE A FLUORINE SUBSTITUTED AROMATIC COMPOUND MITSUI CHEMICALS, INC. (JP) 2001-06-05 US disclosed
US-6127583-A Process for preparing acetylene derivative from a ketone compound MITSUI CHEMICALS, INC. (JP) 2000-10-03 US disclosed
EP-1013629-A1 Preparation process of fluorine subsituted aromatic compound Mitsui Chemicals, Inc. (JP) 2000-06-28 EP disclosed
EP-0949226-A1 Process for the preparation of acetylene derivatives Mitsui Chemicals, Inc. (JP) 1999-10-13 EP disclosed
EP-0895991-A2 Halogenating agent Mitsui Chemicals, Inc. (JP) 1999-02-10 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030004348-A1 Halogenating agents AFF1, NAF1, AFF2 CYP2B6 179/4885MGLL 2995/4885
US-20020042521-A1 Nitrogen-based halogenating agents and process for preparing halogen-containing compounds AFF1, NAF1, CYP2F1 CYP2B6 121/4885MGLL 3762/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.