⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2322658 | 0.79 | — | — | |
| SCHEMBL818543 | 0.75 | ALDH1A1 (0.32) | — | |
| Isopropyl Alcohol SCHEMBL9725546 | 0.70 | CA1 (0.34) | — | |
| SCHEMBL3890729 | 0.70 | TDP1 (0.32) | — | |
| SCHEMBL2138698 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL336085 | 0.69 | — | — | |
| SCHEMBL3889029 | 0.69 | TDP1 (0.31) | — | |
| SCHEMBL74467 | 0.67 | — | — | |
| SCHEMBL3887413 | 0.67 | — | — | |
| Hydrogen Sulfide SCHEMBL15282549 | 0.67 | ALDH1A1 (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-12030980-B2 | Reprocessable compositions | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2024-07-09 | — | — | US | disclosed |