⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11762685 | 0.78 | — | — | |
| SCHEMBL6707454 | 0.75 | — | — | |
| SCHEMBL25281588 | 0.69 | — | — | |
| SCHEMBL7054828 | 0.69 | — | — | |
| Dimethyl Sulfoxide SCHEMBL4234311 | 0.60 | — | — | |
| Dimethyl Sulfoxide SCHEMBL3819555 | 0.60 | ALDH1A1 (0.55) | — | |
| SCHEMBL515058 | 0.60 | — | — | |
| SCHEMBL29230012 | 0.60 | — | — | |
| Dimethyl Sulfoxide SCHEMBL9113663 | 0.60 | ALDH1A1 (0.32) | — | |
| Methylene Chloride SCHEMBL7463180 | 0.58 | ALDH1A1 (0.67) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4166894-A | QUATERNARY AMMONIUM COMPOUNDS OR POLYMERS HAVING AMIDE GROUPS | CALGON CORPORATION (US) | 1979-09-04 | — | — | US | disclosed |
| US-4075136-A | ELECTROCONDUCTIVE COATING | CALGON CORPORATION (US) | 1978-02-21 | — | — | US | disclosed |