⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22096277 | 0.95 | AXL (0.30) | — | |
| SCHEMBL22393573 | 0.87 | TMPRSS2 (0.32) | — | |
| SCHEMBL24148708 | 0.85 | CYP3A4 (0.32) | — | |
| SCHEMBL22739060 | 0.85 | TMPRSS2 (0.40) | — | |
| SCHEMBL18636608 | 0.85 | CYP3A4 (0.32) | — | |
| SCHEMBL22739002 | 0.83 | KRAS (0.31) | — | |
| SCHEMBL25012912 | 0.82 | CSNK1A1 (0.31) | — | |
| SCHEMBL18636474 | 0.82 | TMPRSS2 (0.31) | — | |
| SCHEMBL25012546 | 0.82 | — | — | |
| SCHEMBL10142401 | 0.79 | TMPRSS2 (0.33) | — |
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-20200376014-A1 | METHODS OF TREATING FELINE CORONAVIRUS INFECTIONS | GILEAD SCIENCES, INC. | 2020-12-03 | — | — | US | disclosed |