⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17298943 | 0.76 | ALDH1A1 (0.30) | — | |
| SCHEMBL22915985 | 0.75 | — | — | |
| SCHEMBL104741 | 0.75 | TSHR (0.35) | — | |
| SCHEMBL21788081 | 0.75 | TSHR (0.35) | — | |
| SCHEMBL17624872 | 0.72 | ALDH1A1 (0.36) | — | |
| SCHEMBL19818736 | 0.69 | — | — | |
| SCHEMBL24199120 | 0.67 | ALDH1A1 (0.44) | — | |
| SCHEMBL12425858 | 0.67 | ALDH1A1 (0.31) | — | |
| SCHEMBL21788095 | 0.67 | ADRB2 (0.36) | — | |
| SCHEMBL5071748 | 0.67 | — | — |
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-3985002-A1 | ARYL, HETEROARY, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS | Achillion Pharmaceuticals, Inc. (US) | 2022-04-20 | — | — | EP | disclosed |