⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9005206 | 0.80 | CHRNB2 (0.32) | — | |
| SCHEMBL18857281 | 0.66 | RXRA (0.31) | — | |
| SCHEMBL18857280 | 0.65 | — | — | |
| SCHEMBL9004536 | 0.64 | THRA (0.33) | — | |
| SCHEMBL18469704 | 0.64 | RXRA (0.31) | — | |
| SCHEMBL19176500 | 0.64 | RXRA (0.30) | — | |
| SCHEMBL18857421 | 0.62 | CHRNB2 (0.33) | — | |
| SCHEMBL9005210 | 0.62 | NPC1 (0.33) | — | |
| SCHEMBL24690729 | 0.61 | LMNA (0.30) | — | |
| SCHEMBL21166408 | 0.61 | RXRA (0.34) | — |
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-20230242548-A1 | COMPOSITIONS AND METHODS FOR TREATING CANCER | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2023-08-03 | — | — | US | disclosed |