⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28183 | 0.80 | — | — | |
| SCHEMBL51847 | 0.76 | — | — | |
| Benzene SCHEMBL27691835 | 0.65 | TDP1 (0.35) | — | |
| Ethylene Glycol SCHEMBL5586532 | 0.65 | — | — | |
| SCHEMBL21467 | 0.62 | — | — | |
| SCHEMBL39343 | 0.62 | — | — | |
| SCHEMBL28291240 | 0.62 | — | — | |
| SCHEMBL5584926 | 0.62 | — | — | |
| Ammonia Solution, Strong SCHEMBL21045009 | 0.59 | — | — | |
| Propanol SCHEMBL27720980 | 0.59 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0976852-B1 | Aqueous cleaning solution and method for cleaning aluminium-based metals | NIPPON PAINT CO LTD (JP) | 2003-05-07 | — | — | EP | disclosed |
| US-6083896-A | Aqueous cleaning solution and method for cleaning aluminum-based metals | NIPPON PAINT CO., LTD. (JP) | 2000-07-04 | — | — | US | disclosed |
| CN-1243889-A | Aqueous detergent for cleaning aluminum based alloy and method thereof | NIPPON PAINT CORP (JP) | 2000-02-09 | — | — | CN | disclosed |
| EP-0976852-A1 | Aqueous cleaning solution and method for cleaning aluminium-based metals | Nippon Paint Co., Ltd. (JP) | 2000-02-02 | — | — | EP | disclosed |