⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1960185 | 0.76 | — | — | |
| SCHEMBL6271455 | 0.73 | — | — | |
| SCHEMBL6199683 | 0.71 | — | — | |
| SCHEMBL14999485 | 0.69 | — | — | |
| SCHEMBL28035535 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL27856546 | 0.67 | TSHR (0.33) | — | |
| Hydrochloric Acid SCHEMBL29267877 | 0.67 | — | — | |
| SCHEMBL1867216 | 0.65 | — | — | |
| SCHEMBL15088333 | 0.63 | — | — | |
| SCHEMBL9847507 | 0.62 | — | — |
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-4335052-A | OXIDATION OF CORRESPONDING BENZYL HALIDE WITH TERITARY AMINE OXIDEIN PRESENCE OF WATER | DYNAMIT NOBEL AKTIENGESELLSCHAFT (DE) | 1982-06-15 | — | — | US | claimed |
| US-4335052-A | OXIDATION OF CORRESPONDING BENZYL HALIDE WITH TERITARY AMINE OXIDEIN PRESENCE OF WATER | DYNAMIT NOBEL AKTIENGESELLSCHAFT (DE) | 1982-06-15 | — | — | US | disclosed |