⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5956064 | 0.72 | — | — | |
| SCHEMBL2821749 | 0.69 | KIF11 (0.41) | — | |
| SCHEMBL3480492 | 0.68 | AR (0.33) | — | |
| SCHEMBL17316741 | 0.60 | SIGMAR1 (0.33) | — | |
| SCHEMBL28650239 | 0.59 | — | — | |
| SCHEMBL27563144 | 0.58 | MGAT2 (0.30) | — | |
| SCHEMBL4124 | 0.57 | ALDH1A1 (0.50) | — | |
| SCHEMBL29210704 | 0.56 | — | — | |
| SCHEMBL3938311 | 0.55 | — | — | |
| SCHEMBL11780153 | 0.55 | ALDH1A1 (0.48) | — |
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-20190216804-A1 | METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF FIBROSIS | INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) | 2019-07-18 | — | — | US | disclosed |