⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27692045 | 0.82 | — | — | |
| Succinic Acid SCHEMBL3010127 | 0.76 | LMNA (0.69) | — | |
| SCHEMBL375634 | 0.73 | LMNA (0.53) | — | |
| SCHEMBL2759396 | 0.71 | — | — | |
| SCHEMBL958817 | 0.71 | LMNA (0.50) | — | |
| SCHEMBL16134189 | 0.71 | LMNA (0.50) | — | |
| SCHEMBL16134190 | 0.71 | LMNA (0.50) | — | |
| SCHEMBL1766170 | 0.71 | LMNA (0.50) | — | |
| SCHEMBL22771166 | 0.71 | LMNA (0.50) | — | |
| SCHEMBL1766162 | 0.71 | LMNA (0.50) | — |
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-8193336-B2 | Method and apparatus for combinatorial chemistry | FOOTE ROBERT S (US) | 2012-06-05 | — | — | US | disclosed |
| US-7179591-B2 | Method and apparatus for combinatorial chemistry | Foote, Robert S. (US) | 2007-02-20 | — | — | US | disclosed |