⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8198035 | 0.94 | TSHR (0.48) | — | |
| SCHEMBL8205419 | 0.82 | — | — | |
| SCHEMBL11199752 | 0.78 | — | — | |
| SCHEMBL11312587 | 0.76 | TSHR (0.30) | — | |
| SCHEMBL21376 | 0.74 | — | — | |
| SCHEMBL84124 | 0.74 | — | — | |
| SCHEMBL5011281 | 0.74 | TSHR (0.42) | — | |
| SCHEMBL5519211 | 0.74 | TSHR (0.37) | — | |
| SCHEMBL83990 | 0.72 | — | — | |
| Methyl Alcohol SCHEMBL28758330 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0999205-A1 | AMINOCYCLOALKANE COMPOUNDS | Mitsubishi-Tokyo Pharmaceuticals, Inc. (JP) | 2000-05-10 | — | — | EP | disclosed |