⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22001997 | 1.00 | — | — | |
| SCHEMBL20243369 | 1.00 | — | — | |
| SCHEMBL18901637 | 1.00 | — | — | |
| SCHEMBL14959370 | 0.77 | MEN1 (0.32) | — | |
| SCHEMBL19073812 | 0.77 | MEN1 (0.32) | — | |
| SCHEMBL23319131 | 0.74 | TK1 (0.33) | — | |
| SCHEMBL20308636 | 0.74 | THRB (0.32) | — | |
| SCHEMBL583681 | 0.72 | — | — | |
| SCHEMBL23841217 | 0.70 | — | — | |
| SCHEMBL15289894 | 0.69 | — | — |
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-2017218812-A1 | COMPOSITIONS AND METHODS FOR PREPARATION AND UTILIZATION OF ACID-GENERATING MATERIALS | SHRIEVE CHEMICAL PRODUCTS, INC. (US) | 2017-12-21 | — | — | WO | disclosed |