⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11922790 | 0.90 | TSHR (0.52) | — | |
| SCHEMBL11436875 | 0.87 | TSHR (0.65) | — | |
| SCHEMBL21385747 | 0.85 | TSHR (0.62) | — | |
| SCHEMBL17286045 | 0.83 | — | — | |
| SCHEMBL10282534 | 0.81 | — | — | |
| SCHEMBL20033835 | 0.80 | TSHR (0.55) | — | |
| SCHEMBL13294148 | 0.79 | — | — | |
| SCHEMBL13562755 | 0.79 | — | — | |
| SCHEMBL11471995 | 0.77 | — | — | |
| SCHEMBL18762147 | 0.77 | TSHR (0.65) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020247860-A1 | BROAD SPECTRUM ANTIVIRAL COMPOUNDS TARGETING THE SKI COMPLEX | UNIVERSITY OF MARYLAND, BALTIMORE (US) | 2020-12-10 | — | — | WO | disclosed |
| US-4322342-A | Analgesic compounds | ELI LILLY AND COMPANY (US) | 1982-03-30 | — | — | US | disclosed |
| US-4259234-A | OLIGOPEPTIDES FOR PARENTERAL ADMINISTRATION | ELI LILLY AND COMPANY (US) | 1981-03-31 | — | — | US | disclosed |