⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL636933 | 0.80 | — | — | |
| SCHEMBL25168749 | 0.80 | — | — | |
| SCHEMBL13225448 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL30505671 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL15994261 | 0.78 | — | — | |
| Methyl Isobutyl Ketone SCHEMBL12238523 | 0.78 | — | — | |
| SCHEMBL21839491 | 0.71 | GABRP (0.43) | — | |
| SCHEMBL638004 | 0.69 | — | — | |
| SCHEMBL598845 | 0.69 | — | — | |
| SCHEMBL14799387 | 0.69 | GABRP (0.55) | — |
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-20110263526-A1 | Nitric Oxide Releasing Prodrugs of Therapeutic Agents | PIRAMAL LIFE SCIENCES LIMITED (IN) | 2011-10-27 | — | — | US | disclosed |