⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL4639405 | 0.96 | CYP2B6 (0.32) | — | |
| SCHEMBL518019 | 0.77 | — | — | |
| SCHEMBL7048888 | 0.77 | — | — | |
| SCHEMBL696562 | 0.74 | CYP2B6 (0.32) | — | |
| Hydrochloric Acid SCHEMBL16238627 | 0.74 | — | — | |
| SCHEMBL5390320 | 0.74 | CYP2B6 (0.32) | — | |
| SCHEMBL23628590 | 0.72 | — | — | |
| SCHEMBL6394107 | 0.72 | CYP2B6 (0.41) | — | |
| SCHEMBL20699458 | 0.72 | CYP2B6 (0.31) | — | |
| Hydrochloric Acid SCHEMBL9035395 | 0.72 | CYP2B6 (0.31) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0895991-B1 | Halogenating agent | MITSUI CHEMICALS INC (JP) | 2008-07-09 | — | — | EP | disclosed |
| US-6632949-B2 | Difluoro-diamine methylene derivatives | MITSUI CHEMICALS, INC. (JP) | 2003-10-14 | — | — | 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-6127583-A | Process for preparing acetylene derivative from a ketone compound | MITSUI CHEMICALS, INC. (JP) | 2000-10-03 | — | — | US | 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 |