⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28089174 | 0.80 | — | — | |
| SCHEMBL28265045 | 0.74 | — | — | |
| SCHEMBL3812781 | 0.74 | — | — | |
| SCHEMBL28436928 | 0.74 | — | — | |
| SCHEMBL9700796 | 0.71 | — | — | |
| SCHEMBL28191804 | 0.68 | — | — | |
| SCHEMBL28232883 | 0.67 | — | — | |
| SCHEMBL28186457 | 0.67 | — | — | |
| SCHEMBL28327139 | 0.67 | — | — | |
| SCHEMBL22260982 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011102868-A1 | NEUTRALIZATION OF ACID AND PRODUCTION OF CARBONATE-CONTAINING COMPOSITIONS | CALERA CORPORATION (US) | 2011-08-25 | — | — | WO | disclosed |
| US-20110091366-A1 | NEUTRALIZATION OF ACID AND PRODUCTION OF CARBONATE-CONTAINING COMPOSITIONS | CALERA CORPORATION | 2011-04-21 | — | — | US | disclosed |