⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19537499 | 0.77 | ADORA2A (0.39) | — | |
| SCHEMBL23225546 | 0.77 | ADORA2A (0.39) | — | |
| SCHEMBL23906506 | 0.77 | ALDH1A1 (0.41) | — | |
| SCHEMBL21283173 | 0.74 | CDA (0.47) | — | |
| SCHEMBL26798971 | 0.74 | CDA (0.39) | — | |
| SCHEMBL24831415 | 0.74 | — | — | |
| SCHEMBL19993700 | 0.73 | — | — | |
| SCHEMBL23353386 | 0.71 | TK2 (0.37) | — | |
| SCHEMBL14510444 | 0.71 | TK2 (0.37) | — | |
| SCHEMBL21283066 | 0.71 | TK2 (0.37) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023178133-A9 | COMPOUNDS AND METHODS FOR TREATING DISEASE | ROME THERAPEUTICS, INC. (US) | 2023-10-26 | — | — | WO | disclosed |
| WO-2023178133-A1 | COMPOUNDS AND METHODS FOR TREATING DISEASE | ROME THERAPEUTICS, INC. (US) | 2023-09-21 | — | — | WO | disclosed |