⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16076737 | 1.00 | — | — | |
| SCHEMBL12069856 | 1.00 | — | — | |
| SCHEMBL20911929 | 0.97 | — | — | |
| SCHEMBL14612047 | 0.89 | THRB (0.34) | — | |
| SCHEMBL1087735 | 0.87 | ALDH1A1 (0.35) | — | |
| SCHEMBL1087643 | 0.84 | ALDH1A1 (0.33) | — | |
| SCHEMBL12138334 | 0.84 | — | — | |
| SCHEMBL14577848 | 0.84 | ALDH1A1 (0.33) | — | |
| SCHEMBL9144749 | 0.84 | — | — | |
| SCHEMBL14671162 | 0.84 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020254612-A1 | CONTROLLED-RELEASE TYROSINE KINASE INHIBITOR COMPOUNDS WITH LOCALIZED PD PROPERTIES | Ascendis Pharma Oncology Division A/S (DK) | 2020-12-24 | — | — | WO | disclosed |
| US-9267053-B2 | Preparation and use of branched polymers containing hydroxyl and acrylate groups | BASF SE (DE) | 2016-02-23 | — | — | US | disclosed |