⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL58557 | 1.00 | — | — | |
| Fluoride SCHEMBL28606152 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL22263479 | 0.97 | — | — | |
| Methane SCHEMBL28520622 | 0.97 | — | — | |
| SCHEMBL10799564 | 0.97 | — | — | |
| Iodide SCHEMBL29022383 | 0.97 | — | — | |
| SCHEMBL10387981 | 0.88 | ALDH1A1 (0.72) | — | |
| SCHEMBL22789551 | 0.88 | ALDH1A1 (0.72) | — | |
| Sulfuric Acid SCHEMBL16060507 | 0.84 | ACP1 (0.47) | — | |
| Thiophene SCHEMBL29062444 | 0.84 | ALDH1A1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3174854-B1 | METHOD OF PREPARING FLUORINE-18 LABELED CABOZANTINIB AND ITS ANALOGS | EXELIXIS INC (US) | 2022-08-24 | — | — | EP | disclosed |
| US-20220194902-A1 | Method of Preparing Fluorine-18 Labeled Cabozantinib and Its Analogs | EXELIXIS, INC. | 2022-06-23 | — | — | US | disclosed |