⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4373176 | 0.79 | ZDHHC20 (0.41) | — | |
| SCHEMBL17093436 | 0.76 | — | — | |
| SCHEMBL270118 | 0.72 | LMNA (0.35) | — | |
| SCHEMBL5865663 | 0.70 | CYP3A4 (0.34) | — | |
| SCHEMBL676588 | 0.69 | — | — | |
| SCHEMBL1290917 | 0.69 | — | — | |
| SCHEMBL9215139 | 0.69 | — | — | |
| SCHEMBL8306547 | 0.69 | — | — | |
| SCHEMBL11499443 | 0.67 | — | — | |
| SCHEMBL28907228 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-59055854-A | — | — | None | — | — | JP | disclosed |
| JP-S5955854-A | N-PROPARGYL-N-ACYLHYDROXYLAMINE DERIVATIVE, ITS PREPARATION, AND USE | MEIJI SEIKA KAISHA LTD | 1984-03-31 | — | — | JP | disclosed |