⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13458063 | 0.70 | — | — | |
| SCHEMBL11946243 | 0.64 | — | — | |
| SCHEMBL18924993 | 0.59 | — | — | |
| SCHEMBL1054909 | 0.59 | — | — | |
| SCHEMBL1053410 | 0.59 | LMNA (0.33) | — | |
| SCHEMBL12931624 | 0.59 | ALDH1A1 (0.39) | — | |
| Hydrochloric Acid SCHEMBL1055618 | 0.57 | ALDH1A1 (0.43) | — | |
| SCHEMBL571858 | 0.55 | ALDH1A1 (0.30) | — | |
| SCHEMBL873627 | 0.53 | — | — | |
| SCHEMBL470639 | 0.53 | — | — |
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-20140186469-A1 | PYRROLIDINE-1,2-DICARBOXAMIDE DERIVATIVES | NOVARTIS AG (CH) | 2014-07-03 | — | — | US | disclosed |
| US-8710085-B2 | Pyrrolidine-1,2-dicarboxamide derivatives | NOVARTIS AG (CH) | 2014-04-29 | — | — | US | disclosed |
| US-8476268-B2 | Pyrrolidine-1,2-dicarboxamide derivatives | NOVARTIS AG (CH) | 2013-07-02 | — | — | US | disclosed |