⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28113371 | 1.00 | — | — | |
| SCHEMBL133093 | 1.00 | — | — | |
| Benzene SCHEMBL27834630 | 0.92 | TSHR (0.48) | — | |
| SCHEMBL989252 | 0.84 | TSHR (0.41) | — | |
| SCHEMBL11322788 | 0.84 | TSHR (0.41) | — | |
| SCHEMBL638379 | 0.79 | — | — | |
| SCHEMBL4817611 | 0.79 | — | — | |
| SCHEMBL10526 | 0.79 | — | — | |
| SCHEMBL16326320 | 0.79 | — | — | |
| SCHEMBL1967660 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-107404878-A | Small molecule inhibitors of fibrosis | 加州生物医学研究所 | 2017-11-28 | — | — | CN | disclosed |