⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21036618 | 0.82 | GSR (0.35) | — | |
| SCHEMBL25799883 | 0.77 | HSD11B1 (0.32) | — | |
| SCHEMBL21036619 | 0.71 | HSD11B1 (0.35) | — | |
| SCHEMBL21036611 | 0.71 | PTGS1 (0.34) | — | |
| SCHEMBL21036622 | 0.70 | HSD11B1 (0.34) | — | |
| SCHEMBL21036612 | 0.68 | PTGS1 (0.33) | — | |
| SCHEMBL21036614 | 0.67 | PTGS1 (0.32) | — | |
| SCHEMBL21036692 | 0.67 | TMEM97 (0.38) | — | |
| SCHEMBL21036616 | 0.65 | PTGS2 (0.35) | — | |
| SCHEMBL21036703 | 0.65 | HSD11B1 (0.34) | — |
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-20230218548-A1 | NITRO-AMINOADAMANTANE COMPOUNDS FOR THE TREATMENT OF BETACORONAVIRUS INFECTIONS | EUMENTIS THERAPEUTICS, INC. | 2023-07-13 | — | — | US | disclosed |