⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22644247 | 0.82 | P2RX4 (0.41) | — | |
| SCHEMBL18485451 | 0.79 | P2RX4 (0.38) | — | |
| SCHEMBL22648841 | 0.75 | P2RX4 (0.33) | — | |
| SCHEMBL21459167 | 0.72 | ACE (0.30) | — | |
| SCHEMBL21459165 | 0.72 | ACE (0.30) | — | |
| SCHEMBL10606912 | 0.70 | CHRNB2 (0.34) | — | |
| SCHEMBL887169 | 0.66 | NOTUM (0.42) | — | |
| SCHEMBL23733173 | 0.65 | CA12 (0.34) | — | |
| SCHEMBL198304 | 0.65 | CA12 (0.34) | — | |
| SCHEMBL23998620 | 0.64 | GLA (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-20200354594-A1 | THERMALLY REVERSIBLE AND REORGANIZABLE CROSSLINKING POLYMERS FOR VOLUME BRAGG GRATINGS | META PLATFORMS TECHNOLOGIES, LLC | 2020-11-12 | — | — | US | disclosed |