⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5556681 | 0.85 | — | — | |
| SCHEMBL23903 | 0.80 | MAOA (0.41) | — | |
| SCHEMBL27626677 | 0.79 | MAOA (0.40) | — | |
| SCHEMBL71211 | 0.77 | — | — | |
| SCHEMBL5557769 | 0.77 | MAOA (0.31) | — | |
| SCHEMBL24657 | 0.76 | MAOA (0.46) | — | |
| SCHEMBL586691 | 0.76 | — | — | |
| SCHEMBL27791874 | 0.76 | MAOA (0.38) | — | |
| SCHEMBL4824234 | 0.73 | MAPT (0.46) | — | |
| SCHEMBL2238415 | 0.70 | NPC1 (0.32) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7166240-B2 | Hydrocarbon compounds, materials for organic electroluminescent elements and organic electroluminescent elements | MITSUI CHEMICALS, INC. (JP) | 2007-01-23 | — | — | US | disclosed |
| US-6929870-B2 | Hydrocarbon compounds, materials for organic electroluminescent elements and organic electroluminescent elements | MITSUI CHEMICALS, INC. (JP) | 2005-08-16 | — | — | US | disclosed |
| US-20050074631-A1 | Hydrocarbon compounds, materials for organic electroluminescent elements and organic electroluminescent elements | MITSUI CHEMICALS, INC. (JP) | 2005-04-07 | — | — | US | disclosed |
| US-20030087126-A1 | Hydrocarbon compound, material for organic electroluminescent element and organic electroluminescent element | IDEMITSU KOSAN CO., LTD. (JP) | 2003-05-08 | — | — | US | disclosed |
| EP-1221434-A1 | HYDROCARBON COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT | Mitsui Chemicals, Inc. (JP) | 2002-07-10 | — | — | EP | disclosed |