⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29957317 | 0.75 | — | — | |
| SCHEMBL12837642 | 0.75 | — | — | |
| SCHEMBL28749378 | 0.73 | — | — | |
| SCHEMBL14749983 | 0.73 | — | — | |
| SCHEMBL8846217 | 0.73 | — | — | |
| SCHEMBL808422 | 0.68 | — | — | |
| SCHEMBL15925957 | 0.68 | — | — | |
| SCHEMBL14749984 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL30893554 | 0.67 | ALOX5 (0.39) | — | |
| SCHEMBL11902441 | 0.66 | MEN1 (0.33) | — |
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-4113947-A | WASH RESISTANT WATER REPELLEMT FINISH FOR FIBERS | CIBA-GEIGY CORPORATION (US) | 1978-09-12 | — | — | US | disclosed |