⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11766358 | 0.97 | — | — | |
| SCHEMBL5028498 | 0.97 | — | — | |
| SCHEMBL11768115 | 0.93 | — | — | |
| Bicarbonate SCHEMBL27177331 | 0.93 | ALDH1A1 (0.56) | — | |
| SCHEMBL329133 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL8678062 | 0.90 | — | — | |
| SCHEMBL8676190 | 0.90 | — | — | |
| SCHEMBL9302878 | 0.90 | — | — | |
| Bicarbonate SCHEMBL22439876 | 0.90 | ALDH1A1 (0.60) | — | |
| Ammonia Solution, Strong SCHEMBL9805347 | 0.90 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2033981-A1 | POLYCARBONATE COPOLYMER AND PROCESS FOR PRODUCTION THEREOF | Mitsubishi Chemical Corporation (JP) | 2009-03-11 | — | — | EP | disclosed |