⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11223655 | 1.00 | — | — | |
| SCHEMBL7158115 | 0.83 | TSHR (0.33) | — | |
| SCHEMBL3640609 | 0.83 | TSHR (0.33) | — | |
| SCHEMBL7161490 | 0.78 | TRPA1 (0.40) | — | |
| SCHEMBL9885786 | 0.73 | — | — | |
| SCHEMBL87086 | 0.73 | — | — | |
| SCHEMBL387660 | 0.73 | — | — | |
| SCHEMBL7161493 | 0.73 | — | — | |
| SCHEMBL545915 | 0.69 | — | — | |
| SCHEMBL3368476 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4338465-A | Synthesized scent | MEILLER RESEARCH, INC. (US) | 1982-07-06 | — | — | US | disclosed |
| US-4213875-A | Synthesized scent | MEILLER RESEARCH, INC. (US) | 1980-07-22 | — | — | US | disclosed |