⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15908513 | 1.00 | — | — | |
| SCHEMBL16046579 | 0.76 | CYP19A1 (0.36) | — | |
| SCHEMBL3630532 | 0.73 | CYP3A4 (0.43) | — | |
| SCHEMBL8731685 | 0.73 | CYP3A4 (0.43) | — | |
| SCHEMBL19657437 | 0.73 | CYP3A4 (0.36) | — | |
| SCHEMBL3150036 | 0.73 | CYP3A4 (0.43) | — | |
| SCHEMBL10892646 | 0.70 | — | — | |
| SCHEMBL1639680 | 0.67 | ACE2 (0.40) | — | |
| SCHEMBL5605630 | 0.67 | CYP3A4 (0.32) | — | |
| SCHEMBL11310612 | 0.66 | — | — |
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-4101834-B1 | HALOACETALDEHYDE ALKYL 2-CYCLOPENTENYL ACETAL COMPOUND AND A PROCESS FOR PREPARING THE SAME, A PROCESS FOR PREPARING A (2-CYCLOPENTENYL)ACETATE ESTER COMPOUND THEREFROM, AND A PROCESS FOR PREPARING A (2-CYCLOPENTENYL)ACETIC ACID COMPOUND THEREFROM | SHINETSU CHEMICAL CO (JP) | 2023-11-22 | — | — | EP | disclosed |