⚠ 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 | |
|---|---|---|---|---|
| Butane SCHEMBL22075875 | 0.92 | ALDH1A1 (0.68) | — | |
| SCHEMBL9579716 | 0.90 | — | — | |
| Hydrazine SCHEMBL16767225 | 0.90 | — | — | |
| SCHEMBL31018802 | 0.90 | — | — | |
| SCHEMBL117455 | 0.90 | — | — | |
| SCHEMBL17976 | 0.90 | — | — | |
| SCHEMBL118159 | 0.90 | — | — | |
| SCHEMBL3701513 | 0.90 | ALDH1A1 (1.00) | — | |
| Ethylamine SCHEMBL4539179 | 0.88 | — | — | |
| Propane SCHEMBL23011948 | 0.88 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008138574-A1 | AN ARTICLE FOR USE IN WASHING TEXTILE ARTICLES | PUNCH INDUSTRIES (IE) | 2008-11-20 | — | — | WO | disclosed |
| US-5798023-A | Combination of talc-bentonite for deposition control in papermaking processes | NALCO CHEMICAL COMPANY (US) | 1998-08-25 | — | — | US | disclosed |
| US-4770782-A | Method for preventing gel/emulsion formation | EXXON CHEMICAL PATENTS INC. (US) | 1988-09-13 | — | — | US | disclosed |