⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23982597 | 0.79 | P2RX4 (0.31) | — | |
| SCHEMBL498404 | 0.78 | ALDH1A1 (0.31) | — | |
| SCHEMBL498403 | 0.76 | — | — | |
| SCHEMBL20780290 | 0.73 | MMP1 (0.32) | — | |
| SCHEMBL5208696 | 0.73 | — | — | |
| SCHEMBL2334377 | 0.72 | TSHR (0.33) | — | |
| SCHEMBL497744 | 0.72 | ALDH1A1 (0.33) | — | |
| SCHEMBL4721437 | 0.72 | FFAR3 (0.33) | — | |
| SCHEMBL4234787 | 0.70 | TSHR (0.32) | — | |
| SCHEMBL329195 | 0.70 | TSHR (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-20230202977-A1 | CYCLIC LIPIDS AND METHODS OF USE THEREOF | RENAGADE THERAPEUTICS MANAGEMENT INC. | 2023-06-29 | — | — | US | disclosed |