⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL271798 | 1.00 | — | — | |
| SCHEMBL4442726 | 0.82 | — | — | |
| SCHEMBL5985112 | 0.79 | LMNA (0.30) | — | |
| SCHEMBL28762 | 0.79 | — | — | |
| SCHEMBL11059751 | 0.76 | ALDH1A1 (0.55) | — | |
| Ethylene Glycol SCHEMBL5930511 | 0.76 | ALDH1A1 (0.55) | — | |
| SCHEMBL23409952 | 0.75 | TSHR (0.48) | — | |
| SCHEMBL15971743 | 0.73 | — | — | |
| SCHEMBL15971902 | 0.73 | — | — | |
| SCHEMBL83761 | 0.73 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102105469-A | Heterocyclic urea derivatives for the treatment of bacterial infections | ASTRAZENECA AB | 2011-06-22 | — | — | CN | disclosed |
| CN-1134412-C | N-substituted 2-cyanopyrodlidines | ��Ұ����ҩ��ʽ���� | 2004-01-14 | — | — | CN | disclosed |
| CN-1236361-A | N-substituted 2-cyanopyrrolidines | NOVARTIS AG (CH) | 1999-11-24 | — | — | CN | disclosed |
| EP-0937040-A2 | N-SUBSTITUTED 2-CYANOPYRROLIDINES | Novartis AG (CH) | 1999-08-25 | — | — | EP | disclosed |
| WO-1998019998-A2 | N-SUBSTITUTED 2-CYANOPYRROLIDINES | NOVARTIS AG (CH) | 1998-05-14 | — | — | WO | disclosed |