⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11720509 | 0.88 | — | — | |
| SCHEMBL27881244 | 0.78 | FUCA1 (0.38) | — | |
| SCHEMBL8795601 | 0.78 | — | — | |
| SCHEMBL5573071 | 0.77 | — | — | |
| SCHEMBL9921591 | 0.75 | CCR5 (0.32) | — | |
| SCHEMBL8829098 | 0.75 | — | — | |
| SCHEMBL6050502 | 0.73 | SLC6A1 (0.33) | — | |
| SCHEMBL1557587 | 0.71 | — | — | |
| SCHEMBL8251605 | 0.71 | — | — | |
| SCHEMBL251470 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112939907-A | Malachite green derivatives with double protein activation sites and synthesis method and application thereof | 中国科学院大连化学物理研究所 | 2021-06-11 | — | — | CN | claimed |
| US-20230159453-A1 | INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION | COCRYSTAL PHARMA, INC. | 2023-05-25 | — | — | US | disclosed |
| CN-112939907-A | Malachite green derivatives with double protein activation sites and synthesis method and application thereof | 中国科学院大连化学物理研究所 | 2021-06-11 | — | — | CN | disclosed |
| US-20120149678-A1 | Organonitro Compounds for Use in Treating Non-Hodgkin's Lymphoma and Leukemia, and Methods Relating Thereto | ORONSKY BRYAN T (US) | 2012-06-14 | — | — | US | disclosed |