⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL828225 | 0.72 | — | — | |
| SCHEMBL5173145 | 0.72 | — | — | |
| SCHEMBL23012328 | 0.70 | — | — | |
| SCHEMBL23012732 | 0.70 | — | — | |
| SCHEMBL896187 | 0.67 | — | — | |
| SCHEMBL13700989 | 0.65 | — | — | |
| SCHEMBL7152843 | 0.61 | CLK4 (0.41) | — | |
| SCHEMBL2214501 | 0.61 | RHEB (0.65) | — | |
| SCHEMBL594175 | 0.61 | BRD4 (0.40) | — | |
| SCHEMBL2305754 | 0.61 | BRD4 (0.41) | — |
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-103221412-B | (aza) indolizine derivatives and their pharmaceutical use | Kissei Pharmaceutical Co.,Ltd. (JP) | 2015-08-19 | — | — | CN | disclosed |
| CN-104592224-A | (AZA)INDOLIZINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF | KISSEI PHARMACEUTICAL | 2015-05-06 | — | — | CN | disclosed |