⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22255168 | 0.79 | — | — | |
| SCHEMBL12168243 | 0.74 | TSHR (0.40) | — | |
| SCHEMBL1937506 | 0.72 | LMNA (0.30) | — | |
| SCHEMBL10819165 | 0.71 | ALDH1A1 (0.30) | — | |
| SCHEMBL13478314 | 0.69 | DGAT1 (0.44) | — | |
| SCHEMBL105130 | 0.67 | TSHR (0.40) | — | |
| SCHEMBL7956490 | 0.67 | ALDH1A1 (0.32) | — | |
| SCHEMBL13054908 | 0.67 | — | — | |
| SCHEMBL23376678 | 0.67 | CYP1A2 (0.31) | — | |
| SCHEMBL8462479 | 0.65 | GAA (0.31) | — |
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-20230159491-A1 | Antimicrobial Compounds and Methods | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2023-05-25 | — | — | US | disclosed |