⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19880573 | 0.87 | TSHR (0.32) | — | |
| SCHEMBL21883550 | 0.86 | KDM4E (0.32) | — | |
| SCHEMBL19769058 | 0.79 | P2RX3 (0.37) | — | |
| SCHEMBL22096864 | 0.72 | ALDH1A1 (0.33) | — | |
| SCHEMBL19779693 | 0.72 | ALDH1A1 (0.33) | — | |
| SCHEMBL21565411 | 0.70 | PTPN1 (0.37) | — | |
| SCHEMBL19779702 | 0.69 | CYP11B1 (0.32) | — | |
| SCHEMBL19778439 | 0.68 | CYP2E1 (0.38) | — | |
| SCHEMBL18927455 | 0.67 | ADRA2A (0.30) | — | |
| SCHEMBL20621645 | 0.65 | AOC1 (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 |
|---|---|---|---|---|---|---|---|
| US-10597377-B2 | Somatostatin modulators and uses thereof | Crinetics Pharmaceuticals, Inc. (US) | 2020-03-24 | — | — | US | disclosed |