⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL30898465 | 0.69 | — | — | |
| SCHEMBL3012280 | 0.67 | — | — | |
| SCHEMBL21621307 | 0.67 | — | — | |
| SCHEMBL11479565 | 0.67 | — | — | |
| SCHEMBL21719654 | 0.62 | HPGD (0.48) | — | |
| SCHEMBL17614993 | 0.62 | — | — | |
| SCHEMBL21621435 | 0.62 | — | — | |
| SCHEMBL1009011 | 0.61 | XDH (0.56) | — | |
| SCHEMBL20683223 | 0.56 | — | — | |
| SCHEMBL21737063 | 0.56 | — | — |
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-20130172550-A1 | P2X4 RECEPTOR ANTAGONIST | NIPPON CHEMIPHAR CO., LTD. (JP) | 2013-07-04 | — | — | US | disclosed |