⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28577568 | 0.79 | — | — | |
| SCHEMBL12300366 | 0.76 | — | — | |
| SCHEMBL2660646 | 0.74 | — | — | |
| SCHEMBL6397583 | 0.74 | — | — | |
| SCHEMBL10136545 | 0.73 | THRB (0.30) | — | |
| SCHEMBL28818984 | 0.73 | — | — | |
| SCHEMBL6648636 | 0.71 | — | — | |
| SCHEMBL105383 | 0.69 | — | — | |
| SCHEMBL14520947 | 0.69 | — | — | |
| SCHEMBL1537045 | 0.69 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5023366-A | Reacted with a benzyl halide, alcohol or ether; for pressure sensitive elements | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1991-06-11 | — | — | US | disclosed |