⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL562252 | 0.86 | ALDH1A1 (0.31) | — | |
| SCHEMBL9171417 | 0.86 | NR1I2 (0.32) | — | |
| SCHEMBL9460621 | 0.84 | NR1I2 (0.36) | — | |
| SCHEMBL9175979 | 0.81 | GPR84 (0.35) | — | |
| SCHEMBL9174831 | 0.80 | NR1I2 (0.31) | — | |
| SCHEMBL9460655 | 0.80 | NR1I2 (0.33) | — | |
| SCHEMBL7211268 | 0.79 | NR1I2 (0.35) | — | |
| SCHEMBL10935184 | 0.79 | CA2 (0.31) | — | |
| SCHEMBL9178103 | 0.78 | GPR84 (0.34) | — | |
| SCHEMBL9175360 | 0.76 | GPR84 (0.37) | — |
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-5648554-A | GROUP 8 METAL PHOSPHITE COMPLEX CATALYST | MITSUBISHI CHEMICAL CORPORATION (JP) | 1997-07-15 | — | — | US | disclosed |