⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10622860 | 0.77 | — | — | |
| SCHEMBL2596790 | 0.71 | — | — | |
| Ammonia Solution, Strong SCHEMBL3678405 | 0.69 | — | — | |
| Ammonia Solution, Strong SCHEMBL8410040 | 0.69 | — | — | |
| SCHEMBL669680 | 0.65 | LAP3 (0.31) | — | |
| SCHEMBL28816589 | 0.65 | TSHR (0.32) | — | |
| SCHEMBL22105010 | 0.64 | — | — | |
| SCHEMBL3373372 | 0.64 | TSHR (0.32) | — | |
| SCHEMBL3353958 | 0.63 | TSHR (0.35) | — | |
| Water SCHEMBL27766037 | 0.63 | — | — |
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-5174816-A | SURFACE TREATING AGENT FOR ALUMINUM LINE PATTERN SUBSTRATE | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 1992-12-29 | — | — | US | disclosed |