⚠ 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 | |
|---|---|---|---|---|
| Butanol SCHEMBL5230624 | 0.85 | — | — | |
| Propylene Glycol SCHEMBL10542747 | 0.85 | — | — | |
| Allylamine SCHEMBL3148073 | 0.83 | ALDH1A1 (0.64) | — | |
| Allylamine SCHEMBL11470587 | 0.83 | — | — | |
| Allylamine SCHEMBL10528352 | 0.82 | — | — | |
| Isopropyl Alcohol SCHEMBL29155565 | 0.81 | — | — | |
| Allylamine SCHEMBL7180135 | 0.81 | ALDH1A1 (0.45) | — | |
| Lactic Acid SCHEMBL1025752 | 0.81 | TP53 (0.55) | — | |
| Allylamine SCHEMBL18302510 | 0.78 | — | — | |
| Allylamine SCHEMBL7599092 | 0.78 | — | — |
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-2023202849-A1 | CORE-AND-SHELL LAUNDRY COMPOSITION | RECKITT BENCKISER VANISH B.V. (NL) | 2023-10-26 | — | — | WO | claimed |
| WO-2023202849-A1 | CORE-AND-SHELL LAUNDRY COMPOSITION | RECKITT BENCKISER VANISH B.V. (NL) | 2023-10-26 | — | — | WO | disclosed |
| US-20080261041-A1 | COMPOSITE FACERS, WALLBOARDS WITH PROTECTIVE COMPOSITE FACERS AND METHODS OF MANUFACTURE | CONSOLIDATED FIBERGLASS PRODUCTS COMPANY | 2008-10-23 | — | — | US | disclosed |