⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27753248 | 0.98 | — | — | |
| SCHEMBL8415955 | 0.65 | — | — | |
| SCHEMBL29128570 | 0.64 | POLB (0.36) | — | |
| SCHEMBL4047571 | 0.64 | — | — | |
| SCHEMBL6140894 | 0.64 | — | — | |
| SCHEMBL28453083 | 0.62 | — | — | |
| SCHEMBL11061499 | 0.62 | — | — | |
| SCHEMBL4580604 | 0.62 | — | — | |
| SCHEMBL7836602 | 0.61 | SMN1; SMN2 (0.40) | — | |
| SCHEMBL11056868 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4505792-A | Photochemical rearrangement of 2-aminopyrrolin-5-ones to aminocyclopropyl isocyanates and polymers thereof | UNIVERSITY PATENTS, INC. (US) | 1985-03-19 | — | — | US | disclosed |
| US-4380647-A | 2-Aminopyrrolin 5-ones and aminocyclopropyl isocyanates therefrom | UNIVERSITY PATENTS, INC. (US) | 1983-04-19 | — | — | US | disclosed |
| US-4076840-A | TREATMENT OF ALCOHOLISM | ASTRA LAKEMEDEL AKTIEBOLAG (SW) | 1978-02-28 | — | — | US | disclosed |