⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13394385 | 1.00 | — | — | |
| SCHEMBL13394421 | 0.81 | SIGMAR1 (0.31) | — | |
| SCHEMBL173129 | 0.81 | MCHR1 (0.34) | — | |
| SCHEMBL13394418 | 0.81 | MCHR1 (0.34) | — | |
| SCHEMBL16510048 | 0.81 | MCHR1 (0.34) | — | |
| SCHEMBL173131 | 0.81 | SIGMAR1 (0.31) | — | |
| SCHEMBL16510067 | 0.81 | SIGMAR1 (0.31) | — | |
| SCHEMBL96700 | 0.80 | TACR1 (0.33) | — | |
| SCHEMBL13568864 | 0.80 | TACR1 (0.33) | — | |
| SCHEMBL13570037 | 0.80 | TACR1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120059008-A1 | DIALKYLAMINO ALKYL ESTERS OF PIVAGABINE AS MEDICAMENTS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS | CENERX BIOPHARMA, INC. (US) | 2012-03-08 | — | — | US | disclosed |