⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9267530 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL65045 | 0.74 | ALDH1A1 (0.31) | — | |
| SCHEMBL7300772 | 0.73 | — | — | |
| SCHEMBL3404119 | 0.72 | — | — | |
| SCHEMBL14249133 | 0.69 | — | — | |
| SCHEMBL8900245 | 0.67 | — | — | |
| SCHEMBL1992039 | 0.65 | — | — | |
| SCHEMBL8206541 | 0.65 | — | — | |
| SCHEMBL21273723 | 0.65 | — | — | |
| SCHEMBL1394639 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1132756-A | Antiviral ethers of aspartate protease substrate isosteres | CIBA GEIGY AG (CH) | 1996-10-09 | — | — | CN | claimed |