⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11172248 | 0.70 | — | — | |
| SCHEMBL12344045 | 0.69 | — | — | |
| SCHEMBL25463501 | 0.65 | AOC3 (0.32) | — | |
| Hydrochloric Acid SCHEMBL960244 | 0.65 | GAA (0.32) | — | |
| SCHEMBL17132892 | 0.64 | HTR2C (0.32) | — | |
| SCHEMBL21451063 | 0.64 | TSHR (0.31) | — | |
| SCHEMBL20617409 | 0.61 | TSHR (0.36) | — | |
| SCHEMBL31239076 | 0.61 | — | — | |
| SCHEMBL22585296 | 0.60 | — | — | |
| SCHEMBL17131651 | 0.60 | KMT2A (0.39) | — |
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 |