⚠ 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 | |
|---|---|---|---|---|
| Ethylene SCHEMBL1557593 | 0.94 | — | — | |
| Ethylene SCHEMBL6368776 | 0.94 | ALDH1A1 (0.50) | — | |
| SCHEMBL27796 | 0.94 | — | — | |
| SCHEMBL3070371 | 0.94 | ALDH1A1 (0.55) | — | |
| SCHEMBL11669904 | 0.92 | ALDH1A1 (0.48) | — | |
| SCHEMBL25232908 | 0.92 | — | — | |
| Water SCHEMBL58538 | 0.92 | — | — | |
| SCHEMBL21580547 | 0.92 | — | — | |
| SCHEMBL15106933 | 0.92 | — | — | |
| Ethylene Glycol SCHEMBL7784600 | 0.92 | ALDH1A1 (0.52) | — |
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-4642280-A | PHTHALOCYANINES; SENSITIVE, STABLE, LOW RESIDUAL VOLTAGE | MINOLTA CAMERA KABUSHIKI KAISHA (JP) | 1987-02-10 | — | — | US | disclosed |