⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7736979 | 0.85 | ALDH1A1 (0.33) | — | |
| SCHEMBL7740332 | 0.71 | AKR1B1 (0.38) | — | |
| SCHEMBL8491984 | 0.59 | — | — | |
| SCHEMBL9568028 | 0.59 | — | — | |
| SCHEMBL4890544 | 0.57 | — | — | |
| SCHEMBL10369757 | 0.56 | CA12 (0.33) | — | |
| SCHEMBL29857 | 0.56 | — | — | |
| SCHEMBL3073811 | 0.55 | — | — | |
| SCHEMBL595749 | 0.55 | — | — | |
| SCHEMBL6269661 | 0.54 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-RE37781-E1 | VIRICIDES, PROTEASE INHIBITOR | DUPONT PHARMACEUTICALS COMPANY | 2002-07-02 | — | — | US | disclosed |