⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8744012 | 1.00 | — | — | |
| SCHEMBL12529300 | 1.00 | — | — | |
| SCHEMBL23613635 | 0.92 | — | — | |
| SCHEMBL13859608 | 0.81 | — | — | |
| SCHEMBL6922111 | 0.78 | — | — | |
| SCHEMBL8463136 | 0.78 | — | — | |
| SCHEMBL4359123 | 0.78 | — | — | |
| SCHEMBL6890106 | 0.76 | KMT2A (0.46) | — | |
| SCHEMBL9978009 | 0.75 | CA1 (0.41) | — | |
| SCHEMBL23970319 | 0.75 | CA1 (0.41) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5618980-A | DEHYDROGENATING N-CYCLOHEXYLIDENEAMINO COMPOUND IN PRESENCE OF HYDROGEN TRANSFER CATALYST AND HYDROGEN ACCEPTOR AND ALKALI OR ALKALINE EARTH METAL COMPOUND COCATALYST | MITSUI TOATSU CHEMICALS, INC. (JP) | 1997-04-08 | — | — | US | disclosed |
| EP-0588060-B1 | Method for preparing aromatic secondary amino compound | MITSUI TOATSU CHEMICALS (JP) | 1997-04-02 | — | — | EP | disclosed |
| EP-0753505-A2 | Method for preparing aromatic secondary amino compound | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1997-01-15 | — | — | EP | disclosed |
| US-5536878-A | HYDROGEN ACCEPTOR | MITSUI TOATSU CHEMICALS, INC. (JP) | 1996-07-16 | — | — | US | disclosed |
| US-5382690-A | Method for preparing aromatic secondary amino compound | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1995-01-17 | — | — | US | disclosed |
| EP-0588060-A2 | Method for preparing aromatic secondary amino compound | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1994-03-23 | — | — | EP | disclosed |