⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8702 | 0.84 | — | — | |
| SCHEMBL3131966 | 0.79 | MEN1 (0.58) | — | |
| SCHEMBL26287192 | 0.78 | — | — | |
| SCHEMBL908027 | 0.77 | — | — | |
| SCHEMBL12427217 | 0.76 | MEN1 (0.56) | — | |
| SCHEMBL10590448 | 0.76 | MEN1 (0.56) | — | |
| SCHEMBL6054511 | 0.75 | — | — | |
| SCHEMBL4124349 | 0.75 | — | — | |
| SCHEMBL5727806 | 0.75 | — | — | |
| SCHEMBL8795390 | 0.75 | MMP1 (0.42) | — |
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-105399731-A | Pharmaceutical Compounds | BIAL PORTELA & CA SA | 2016-03-16 | — | — | CN | disclosed |
| CN-102333568-B | Pharmaceutical compounds | BIAL—PORTELA & CA, S.A. (PT) | 2016-01-20 | — | — | CN | disclosed |