⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9001045 | 0.86 | CYP4F2 (0.33) | — | |
| SCHEMBL10231875 | 0.81 | PTGS1 (0.32) | — | |
| SCHEMBL9001038 | 0.79 | — | — | |
| SCHEMBL2058082 | 0.72 | ATR (0.33) | — | |
| SCHEMBL1019403 | 0.71 | ALDH1A1 (0.38) | — | |
| SCHEMBL2058105 | 0.70 | ALDH1A1 (0.30) | — | |
| SCHEMBL168069 | 0.70 | LMNA (0.31) | — | |
| SCHEMBL12159416 | 0.70 | ATR (0.31) | — | |
| SCHEMBL656000 | 0.69 | — | — | |
| SCHEMBL19038515 | 0.69 | ALDH1A1 (0.32) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115884758-A | Nitric oxide or nitric oxide-releasing compositions for the treatment of SARS-CoV and SARS-CoV-2 | 三十呼吸有限公司 | 2023-03-31 | — | — | CN | disclosed |
| US-5582106-A | IMAGE RECEIVING LAYER COMPRISING ZINC OXIDE DISPERSED IN WATER INSOLUBLE ANTISTATIC RESIN | NIPPON PAINT CO., LTD. (JP) | 1996-12-10 | — | — | US | disclosed |