⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18725543 | 1.00 | — | — | |
| SCHEMBL9877900 | 1.00 | — | — | |
| SCHEMBL2922692 | 0.82 | — | — | |
| SCHEMBL12445587 | 0.82 | TSHR (0.39) | — | |
| SCHEMBL385017 | 0.79 | — | — | |
| SCHEMBL18358834 | 0.79 | — | — | |
| SCHEMBL11835112 | 0.78 | OPRM1 (0.44) | — | |
| SCHEMBL20693661 | 0.78 | OPRM1 (0.44) | — | |
| SCHEMBL8977977 | 0.78 | OPRM1 (0.44) | — | |
| Hydrochloric Acid SCHEMBL1934557 | 0.76 | DNM1 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3080608-B1 | MASS LABELS | ELECTROPHORETICS LTD (GB) | 2023-02-01 | — | — | EP | disclosed |
| US-20200199242-A1 | CONSTRUCT-PEPTIDE COMPOSITIONS AND METHODS OF USE THEREOF | ORBIMED ADVISORS LLC | 2020-06-25 | — | — | US | disclosed |