⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11110374 | 1.00 | — | — | |
| SCHEMBL15140761 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL11433327 | 0.97 | — | — | |
| SCHEMBL14577869 | 0.95 | HTT (0.53) | — | |
| 2-Ethoxyethanol SCHEMBL14320335 | 0.87 | ALDH1A1 (0.56) | — | |
| SCHEMBL14422921 | 0.87 | HTT (0.72) | — | |
| SCHEMBL1160224 | 0.83 | HTT (0.54) | — | |
| SCHEMBL698450 | 0.83 | KDM4E (0.46) | — | |
| SCHEMBL14671017 | 0.82 | HTT (0.55) | — | |
| SCHEMBL5430125 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022173756-A1 | ANTIBACTERIAL COMPOUNDS | FORGE THERAPEUTICS, INC. (US) | 2022-08-18 | — | — | WO | disclosed |