⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21725475 | 0.85 | TSHR (0.37) | — | |
| SCHEMBL21725548 | 0.81 | PDE10A (0.40) | — | |
| SCHEMBL21725554 | 0.79 | PDE10A (0.38) | — | |
| SCHEMBL21725532 | 0.79 | HPGD (0.37) | — | |
| SCHEMBL23251413 | 0.75 | HPGD (0.35) | — | |
| SCHEMBL21725533 | 0.74 | HPGD (0.35) | — | |
| SCHEMBL21725549 | 0.72 | PDE10A (0.39) | — | |
| SCHEMBL23717820 | 0.69 | CACNA1C (0.31) | — | |
| SCHEMBL21725555 | 0.66 | HPGD (0.36) | — | |
| SCHEMBL20375150 | 0.65 | TXNRD1 (0.36) | — |
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-20210238164-A1 | MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF | Crinetics Pharmaceuticals, Inc. | 2021-08-05 | — | — | US | disclosed |