⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL482317 | 0.82 | LPAR2 (0.37) | — | |
| Hydrogen Sulfide SCHEMBL6901216 | 0.80 | LPAR2 (0.36) | — | |
| Water SCHEMBL27918128 | 0.80 | LPAR2 (0.36) | — | |
| SCHEMBL27451330 | 0.80 | LPAR2 (0.36) | — | |
| SCHEMBL7007024 | 0.80 | LPAR2 (0.36) | — | |
| Hydrogen Sulfide SCHEMBL6900857 | 0.80 | LPAR2 (0.36) | — | |
| SCHEMBL6696449 | 0.80 | — | — | |
| Hydrogen Sulfide SCHEMBL7967014 | 0.80 | LPAR2 (0.36) | — | |
| Ammonia Solution, Strong SCHEMBL10929934 | 0.80 | LPAR2 (0.36) | — | |
| Zinc Ion SCHEMBL2991140 | 0.78 | LPAR2 (0.34) | — |
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-20160237259-A1 | RUBBER COMPOSITION | ARLANXEO DEUTSCHLAND GMBH (DE) | 2016-08-18 | — | — | US | disclosed |