⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22388203 | 0.73 | TLR4 (0.33) | — | |
| SCHEMBL4288322 | 0.71 | CA1 (0.38) | — | |
| SCHEMBL21940584 | 0.71 | CA1 (0.33) | — | |
| SCHEMBL8419229 | 0.70 | KMT2A (0.40) | — | |
| SCHEMBL11572154 | 0.70 | KMT2A (0.40) | — | |
| SCHEMBL13862159 | 0.67 | — | — | |
| SCHEMBL22388204 | 0.64 | TLR4 (0.33) | — | |
| SCHEMBL9961394 | 0.63 | CA1 (0.30) | — | |
| SCHEMBL5710379 | 0.62 | CA1 (0.33) | — | |
| SCHEMBL9961418 | 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 |
|---|---|---|---|---|---|---|---|
| US-20180223287-A1 | FIBROTIC TREATMENT | MONASH UNIVERSITY (AU) | 2018-08-09 | — | — | US | disclosed |