⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7210409 | 0.81 | — | — | |
| SCHEMBL13894450 | 0.77 | — | — | |
| SCHEMBL1353528 | 0.77 | — | — | |
| SCHEMBL62366 | 0.77 | — | — | |
| SCHEMBL4753353 | 0.77 | — | — | |
| SCHEMBL3222880 | 0.77 | — | — | |
| SCHEMBL1492517 | 0.77 | — | — | |
| SCHEMBL1353529 | 0.77 | — | — | |
| SCHEMBL26151432 | 0.75 | TSHR (0.67) | — | |
| SCHEMBL15484260 | 0.74 | TSHR (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 |
|---|---|---|---|---|---|---|---|
| WO-2013079678-A1 | ORGANIC ELECTRONIC DEVICE | NOVALED AG (DE) | 2013-06-06 | — | — | WO | disclosed |
| US-4159266-A | AZETIDINONE SULFINIC ACID DERIVATIVES | ELI LILLY AND COMPANY (US) | 1979-06-26 | — | — | US | disclosed |
| US-4052387-A | METHOD OF PREPARATION OF 3-METHYLENECEPHAMS | ELI LILLY AND COMPANY (US) | 1977-10-04 | — | — | US | disclosed |