⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1476809 | 1.00 | — | — | |
| SCHEMBL10296596 | 0.86 | — | — | |
| SCHEMBL22107878 | 0.82 | NOS3 (0.34) | — | |
| SCHEMBL11173217 | 0.71 | — | — | |
| SCHEMBL17773095 | 0.67 | — | — | |
| SCHEMBL16938576 | 0.67 | — | — | |
| SCHEMBL4315746 | 0.67 | — | — | |
| SCHEMBL5726315 | 0.67 | — | — | |
| SCHEMBL4315743 | 0.67 | — | — | |
| SCHEMBL11802610 | 0.64 | — | — |
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-8178333-B2 | Biocatalytic processes for the preparation of substantially stereomerically pure fused bicyclic proline compounds | CODEXIS, INC. (US) | 2012-05-15 | — | — | US | disclosed |
| US-20100063300-A1 | BIOCATALYTIC PROCESSES FOR THE PREPARATION OF SUBSTANTIALLY STEREOMERICALLY PURE FUSED BICYCLIC PROLINE COMPOUNDS | CODEXIS, INC. (US) | 2010-03-11 | — | — | US | disclosed |