⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL652560 | 0.70 | — | — | |
| SCHEMBL16199537 | 0.70 | — | — | |
| SCHEMBL29525394 | 0.67 | — | — | |
| SCHEMBL31683765 | 0.67 | — | — | |
| SCHEMBL174236 | 0.67 | — | — | |
| SCHEMBL30524347 | 0.67 | — | — | |
| SCHEMBL10854539 | 0.67 | — | — | |
| SCHEMBL42232 | 0.67 | — | — | |
| SCHEMBL5949334 | 0.67 | — | — | |
| SCHEMBL14209965 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20110184175-A1 | METHOD FOR PRODUCING BSH DERIVATIVE AND BSH DERIVATIVE | STELLA PHARMA CORPORATION (JP) | 2011-07-28 | — | — | US | disclosed |
| US-20110124914-A1 | OPTICALLY ACTIVE ALPHA-AMINO ACID INTO WHICH BSH IS INTRODUCED AND METHOD FOR SYNTHESIZING THE SAME | STELLA PHARMA CORPORATION (JP) | 2011-05-26 | — | — | US | disclosed |