⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1003883 | 0.74 | — | — | |
| SCHEMBL1003884 | 0.74 | — | — | |
| SCHEMBL9805724 | 0.72 | — | — | |
| SCHEMBL13563822 | 0.72 | — | — | |
| SCHEMBL27936926 | 0.72 | ALDH1A1 (0.41) | — | |
| SCHEMBL29839 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL3825634 | 0.69 | — | — | |
| Ammonia Solution, Strong SCHEMBL5584131 | 0.69 | — | — | |
| Methane SCHEMBL9395884 | 0.69 | — | — | |
| Water SCHEMBL5664834 | 0.69 | — | — |
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-1450004-A1 | Additives for inhibiting the formation of gas hydrates | Clariant GmbH (DE) | 2004-08-25 | — | — | EP | disclosed |