⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4121489 | 0.82 | — | — | |
| SCHEMBL762384 | 0.67 | — | — | |
| SCHEMBL7301415 | 0.65 | MEN1 (0.37) | — | |
| SCHEMBL13507263 | 0.63 | — | — | |
| SCHEMBL18117007 | 0.62 | — | — | |
| SCHEMBL1698546 | 0.62 | — | — | |
| SCHEMBL12598816 | 0.62 | — | — | |
| SCHEMBL11052846 | 0.60 | — | — | |
| SCHEMBL16291450 | 0.59 | MEN1 (0.41) | — | |
| SCHEMBL3369576 | 0.58 | — | — |
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-9663470-B2 | Aryl- and heteroarylcarbonyl derivatives of hexahydroindenopyridine and octahydrobenzoquinoline | VITAE PHARMACEUTICALS, INC. (US) | 2017-05-30 | — | — | US | disclosed |
| 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 |