⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3668 | 0.87 | — | — | |
| Water SCHEMBL5384538 | 0.80 | — | — | |
| Water SCHEMBL664367 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL28213264 | 0.80 | — | — | |
| Ethyne SCHEMBL4188550 | 0.75 | — | — | |
| Ethane SCHEMBL27827449 | 0.72 | — | — | |
| SCHEMBL1960917 | 0.71 | — | — | |
| Fluoromethane SCHEMBL28316957 | 0.67 | — | — | |
| SCHEMBL22231173 | 0.67 | — | — | |
| Methyl Alcohol SCHEMBL26905944 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020138011-A1 | TEREPHTHALIC ACID DERIVATIVE HAVING RING-FUSED STRUCTURE | 第一三共株式会社 | 2020-07-02 | — | — | WO | disclosed |
| WO-2020116662-A1 | CYCLOALKANE-1,3-DIAMINE DERIVATIVE | 第一三共株式会社 | 2020-06-11 | — | — | WO | disclosed |