⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7675767 | 0.85 | — | — | |
| SCHEMBL7675624 | 0.78 | — | — | |
| SCHEMBL7678765 | 0.77 | SIGMAR1 (0.37) | — | |
| SCHEMBL7675397 | 0.72 | CA1 (0.33) | — | |
| SCHEMBL6039428 | 0.69 | — | — | |
| SCHEMBL7673012 | 0.69 | — | — | |
| SCHEMBL4716785 | 0.67 | — | — | |
| SCHEMBL5194477 | 0.67 | — | — | |
| SCHEMBL10723332 | 0.67 | ADH1B (0.31) | — | |
| SCHEMBL9440417 | 0.67 | ALOX15 (0.38) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012051425-A1 | PERMANENT AND REVERSIBLE ATTACHMENT OF MOLECULES TO SUBSTRATES BEARING THIOESTER BONDS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2012-04-19 | — | — | WO | disclosed |