⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21836736 | 0.79 | — | — | |
| SCHEMBL20913267 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL21406967 | 0.73 | — | — | |
| SCHEMBL18261198 | 0.69 | CYP1A2 (0.33) | — | |
| Hydrochloric Acid SCHEMBL1074295 | 0.66 | CYP1A2 (0.31) | — | |
| SCHEMBL21407072 | 0.64 | — | — | |
| SCHEMBL23272667 | 0.63 | TSHR (0.33) | — | |
| SCHEMBL20480846 | 0.63 | GPR3 (0.33) | — | |
| SCHEMBL21500716 | 0.60 | CYP2C9 (0.46) | — | |
| SCHEMBL28240475 | 0.59 | CYP1A2 (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 |
|---|---|---|---|---|---|---|---|
| EP-3231842-B1 | PROPYLENE-BASED RESIN COMPOSITION | MITSUI CHEMICALS INC (JP) | 2020-03-11 | — | — | EP | disclosed |