⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7088535 | 0.77 | — | — | |
| SCHEMBL11166724 | 0.76 | — | — | |
| SCHEMBL11095513 | 0.76 | ALDH1A1 (0.53) | — | |
| SCHEMBL8883771 | 0.74 | TDP1 (0.43) | — | |
| SCHEMBL11660101 | 0.72 | MGAM (0.33) | — | |
| SCHEMBL56374 | 0.71 | — | — | |
| Trimethylammonium SCHEMBL27560450 | 0.69 | MGAM (0.45) | — | |
| SCHEMBL5279189 | 0.69 | — | — | |
| SCHEMBL11482031 | 0.69 | ALDH1A1 (0.43) | — | |
| SCHEMBL14890409 | 0.69 | ALDH1A1 (0.40) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-8092203-A | — | — | None | — | — | JP | disclosed |
| US-5677444-A | Method for the preparation of β-ketothioamide compound | JAPAN AS REPRESENTED BY DIRECTOR GENERAL OF AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) | 1997-10-14 | — | — | US | disclosed |
| JP-H0892203-A | BATA-KETOTHIOAMIDE DERIVATIVE AND ITS PRODUCTION | AGENCY OF IND SCIENCE & TECHNOL | 1996-04-09 | — | — | JP | disclosed |