⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3401475 | 0.64 | — | — | |
| SCHEMBL4710658 | 0.61 | — | — | |
| SCHEMBL14631162 | 0.59 | — | — | |
| SCHEMBL28177408 | 0.59 | — | — | |
| SCHEMBL28281416 | 0.57 | — | — | |
| SCHEMBL11392894 | 0.57 | CA2 (0.39) | — | |
| SCHEMBL11320245 | 0.57 | IDO1 (0.41) | — | |
| SCHEMBL2540847 | 0.57 | ALDH1A1 (0.35) | — | |
| SCHEMBL11406620 | 0.54 | SRC (0.40) | — | |
| SCHEMBL10151026 | 0.54 | — | — |
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-108602811-A | FXR receptor stimulating agents | 山东轩竹医药科技有限公司 | 2018-09-28 | — | — | CN | disclosed |