⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1225635 | 0.67 | HRH2 (0.34) | — | |
| SCHEMBL720673 | 0.67 | ROCK2 (0.43) | — | |
| SCHEMBL719084 | 0.66 | HRH3 (0.39) | — | |
| SCHEMBL512167 | 0.65 | HRH2 (0.32) | — | |
| SCHEMBL9103338 | 0.65 | KDM4E (0.32) | — | |
| SCHEMBL8636197 | 0.63 | NOS1 (0.38) | — | |
| SCHEMBL8634429 | 0.63 | NOS1 (0.38) | — | |
| SCHEMBL4421661 | 0.62 | KDM4E (0.36) | — | |
| SCHEMBL6472094 | 0.59 | HRH2 (0.35) | — | |
| SCHEMBL6964724 | 0.59 | KDM4E (0.33) | — |
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-20120028994-A1 | COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION | BRISTOL-MYERS SQUIBB COMPANY | 2012-02-02 | — | — | US | disclosed |
| US-20110212937-A1 | COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION | BRISTOL-MYERS SQUIBB COMPANY | 2011-09-01 | — | — | US | disclosed |