⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1706451 | 0.84 | — | — | |
| SCHEMBL7691463 | 0.83 | ADRB2 (0.38) | — | |
| SCHEMBL27814 | 0.81 | CA1 (0.30) | — | |
| SCHEMBL9958747 | 0.79 | THRB (0.38) | — | |
| Fluoride SCHEMBL27875582 | 0.78 | — | — | |
| Bromide SCHEMBL9709407 | 0.78 | — | — | |
| SCHEMBL2805172 | 0.78 | — | — | |
| SCHEMBL2472583 | 0.75 | — | — | |
| SCHEMBL29587599 | 0.75 | — | — | |
| Methylamine SCHEMBL28883046 | 0.75 | CA1 (0.33) | — |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-1138633-A1 | PROCESS FOR PRODUCING FLUORINATED SILICON COMPOUND | Mitsui Chemicals, Inc. (JP) | 2001-10-04 | — | — | EP | disclosed |
| US-5907382-A | Transparent conductive substrate and display apparatus | KABUSHIKI KAISHA TOSHIBA (JP) | 1999-05-25 | — | — | US | disclosed |