⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21907146 | 0.88 | TSHR (0.32) | — | |
| SCHEMBL11920355 | 0.85 | TSHR (0.35) | — | |
| SCHEMBL16921181 | 0.82 | TSHR (0.33) | — | |
| SCHEMBL21905015 | 0.79 | CYP3A4 (0.38) | — | |
| SCHEMBL18269754 | 0.77 | TSHR (0.46) | — | |
| SCHEMBL18269755 | 0.77 | TSHR (0.46) | — | |
| SCHEMBL11920346 | 0.77 | TSHR (0.46) | — | |
| SCHEMBL21905023 | 0.76 | TSHR (0.42) | — | |
| SCHEMBL21905025 | 0.76 | — | — | |
| SCHEMBL11920359 | 0.75 | TSHR (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2675783-B1 | ADDITION-FRAGMENTATION AGENTS | 3M INNOVATIVE PROPERTIES CO (US) | 2020-04-22 | — | — | EP | disclosed |