⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20008366 | 0.76 | — | — | |
| SCHEMBL944236 | 0.65 | — | — | |
| SCHEMBL842096 | 0.65 | — | — | |
| SCHEMBL3043105 | 0.62 | TSHR (0.41) | — | |
| Hydrochloric Acid SCHEMBL3198564 | 0.62 | — | — | |
| SCHEMBL491716 | 0.62 | TSHR (0.41) | — | |
| SCHEMBL56742 | 0.62 | — | — | |
| SCHEMBL17288070 | 0.62 | TSHR (0.41) | — | |
| Hydrochloric Acid SCHEMBL3198552 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL31329179 | 0.62 | — | — |
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-2021078120-A1 | COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES | NOVARTIS AG (CH) | 2021-04-29 | — | — | WO | disclosed |