⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18822319 | 1.00 | — | — | |
| SCHEMBL851538 | 1.00 | — | — | |
| SCHEMBL283956 | 1.00 | — | — | |
| SCHEMBL284684 | 1.00 | — | — | |
| SCHEMBL22192723 | 1.00 | — | — | |
| SCHEMBL24145771 | 1.00 | — | — | |
| Ammonia Solution, Strong SCHEMBL2894111 | 0.97 | — | — | |
| SCHEMBL284624 | 0.97 | — | — | |
| Ammonia Solution, Strong SCHEMBL16949674 | 0.94 | — | — | |
| SCHEMBL5224599 | 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 |
|---|---|---|---|---|---|---|---|
| EP-3327603-B1 | METHOD AND DEVICE FOR CALCULATING ACID DISSOCIATION CONSTANT, AND PROGRAM | FUJITSU LTD (JP) | 2021-08-11 | — | — | EP | disclosed |
| EP-3327603-A1 | METHOD AND DEVICE FOR CALCULATING ACID DISSOCIATION CONSTANT, AND PROGRAM | Fujitsu Limited (JP) | 2018-05-30 | — | — | EP | disclosed |