⚠ 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 | |
|---|---|---|---|---|
| Piperazine SCHEMBL27853221 | 0.95 | HIF1A (0.55) | — | |
| Aziridine SCHEMBL27834853 | 0.95 | — | — | |
| Piperazine SCHEMBL27689012 | 0.91 | HIF1A (0.50) | — | |
| Piperazine SCHEMBL27557138 | 0.90 | — | — | |
| Propane SCHEMBL3971658 | 0.90 | HIF1A (0.60) | — | |
| Pyrrolidine SCHEMBL27599087 | 0.88 | — | — | |
| Azetidine SCHEMBL28507670 | 0.86 | — | — | |
| Piperidine SCHEMBL27574340 | 0.84 | ALDH1A1 (0.64) | — | |
| Pyrrolidine SCHEMBL15602911 | 0.82 | — | — | |
| Butane SCHEMBL4155411 | 0.80 | HIF1A (0.46) | — |
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-5179223-A | Reacting primary amine, urea and oxime | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1993-01-12 | — | — | US | disclosed |
| US-4430505-A | UREA, PRIMARY AMINES, ALCOHOLS | BAYER AKTIENGESELLSCHAFT (DE) | 1984-02-07 | — | — | US | disclosed |