⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6045517 | 1.00 | — | — | |
| SCHEMBL6045522 | 0.77 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL6045477 | 0.77 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL15044657 | 0.70 | — | — | |
| SCHEMBL9599191 | 0.69 | — | — | |
| SCHEMBL10416584 | 0.69 | — | — | |
| SCHEMBL25475515 | 0.68 | MAPK1 (0.32) | — | |
| SCHEMBL307800 | 0.68 | CA12 (0.38) | — | |
| SCHEMBL6045764 | 0.68 | GABRA1 (0.31) | — | |
| SCHEMBL6045532 | 0.68 | GABRA1 (0.31) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060252774-A1 | Regulation of type 5 adenylyl cyclase for treatment of neurodegenerative and cardiac diseases | NEW JERSEY, UNIVERSITY OF MEDICINE AND DENTISTRY OF | 2006-11-09 | — | — | US | disclosed |