⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL409141 | 1.00 | — | — | |
| SCHEMBL644615 | 1.00 | — | — | |
| SCHEMBL28448444 | 1.00 | — | — | |
| Ammonia Solution, Strong SCHEMBL28258900 | 0.98 | — | — | |
| Fluoride SCHEMBL28491728 | 0.98 | — | — | |
| Alcohol SCHEMBL28844309 | 0.95 | — | — | |
| Alcohol SCHEMBL28420232 | 0.95 | — | — | |
| Hexane SCHEMBL28599316 | 0.93 | — | — | |
| SCHEMBL157273 | 0.92 | — | — | |
| Isopropyl Alcohol SCHEMBL28466056 | 0.92 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7655365-B2 | Wettability variable substrate and wettability variable layer forming composition | DAI NIPPON PRINTING CO., LTD. (JP) | 2010-02-02 | — | — | US | disclosed |
| US-20040132946-A1 | Wettability variable substrate and wettability variable layer forming composition | DAI NIPPON PRINTING CO., LTD. (JP) | 2004-07-08 | — | — | US | disclosed |