⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9918688 | 0.66 | — | — | |
| SCHEMBL17249470 | 0.66 | — | — | |
| SCHEMBL24060448 | 0.63 | — | — | |
| SCHEMBL11201090 | 0.62 | — | — | |
| SCHEMBL1400956 | 0.62 | — | — | |
| SCHEMBL15064149 | 0.62 | — | — | |
| SCHEMBL1755257 | 0.61 | — | — | |
| SCHEMBL27494511 | 0.61 | — | — | |
| SCHEMBL11665315 | 0.60 | — | — | |
| SCHEMBL28942157 | 0.60 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100384825-C | Benzheterocyclic derivatives | OTSUKA PHARMA CO LTD (JP) | 2008-04-30 | — | — | CN | disclosed |
| CN-1104418-C | Benzoheterocyclic derivatives | OTSUKA PHARMA CO LTD (JP) | 2003-04-02 | — | — | CN | disclosed |
| CN-1313280-A | Benzheterocyclic derivatives | OTSUKA PHARMA CO LTD (JP) | 2001-09-19 | — | — | CN | disclosed |
| CN-1150799-A | Benzoheterocyclic derivatives | OTSUKA PHARMA CO LTD (JP) | 1997-05-28 | — | — | CN | disclosed |