⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9952512 | 0.74 | TSHR (0.33) | — | |
| SCHEMBL28609557 | 0.73 | — | — | |
| SCHEMBL9244267 | 0.73 | — | — | |
| SCHEMBL2190290 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL27762047 | 0.71 | — | — | |
| SCHEMBL542866 | 0.70 | — | — | |
| SCHEMBL28263163 | 0.70 | ALDH1A1 (0.53) | — | |
| SCHEMBL322454 | 0.70 | — | — | |
| SCHEMBL8045367 | 0.69 | LMNA (0.35) | — | |
| SCHEMBL22736974 | 0.69 | LMNA (0.30) | — |
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-10870663-B2 | Compounds useful in HIV therapy | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2020-12-22 | — | — | US | disclosed |