⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26439682 | 0.88 | ALDH1A1 (0.40) | — | |
| SCHEMBL27334843 | 0.74 | ALDH1A1 (0.39) | — | |
| SCHEMBL19043892 | 0.72 | ALDH1A1 (0.35) | — | |
| SCHEMBL17361251 | 0.72 | CDC42 (0.46) | — | |
| SCHEMBL7875841 | 0.72 | CDC42 (0.46) | — | |
| SCHEMBL9381386 | 0.70 | ALDH1A1 (0.39) | — | |
| SCHEMBL10798289 | 0.69 | ALDH1A1 (0.39) | — | |
| SCHEMBL19937886 | 0.69 | DRD3 (0.41) | — | |
| SCHEMBL10957551 | 0.69 | ALDH1A1 (0.42) | — | |
| SCHEMBL3949083 | 0.65 | KDM4E (0.45) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104144930-A | New indolizine derivatives, method for preparing same and pharmaceutical compositions containing same | SERVIER LAB | 2014-11-12 | — | — | CN | claimed |
| CN-104144930-A | New indolizine derivatives, method for preparing same and pharmaceutical compositions containing same | SERVIER LAB | 2014-11-12 | — | — | CN | disclosed |