⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5873349 | 0.96 | — | — | |
| SCHEMBL13799828 | 0.73 | — | — | |
| Ammonia Solution, Strong SCHEMBL5327532 | 0.69 | — | — | |
| Ammonia Solution, Strong SCHEMBL8329103 | 0.69 | TSHR (0.31) | — | |
| SCHEMBL194950 | 0.69 | — | — | |
| Ethylene Glycol SCHEMBL620461 | 0.69 | TSHR (0.33) | — | |
| Alcohol SCHEMBL17203241 | 0.67 | TSHR (0.38) | — | |
| SCHEMBL705439 | 0.67 | — | — | |
| SCHEMBL22639051 | 0.67 | — | — | |
| SCHEMBL28656174 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5578677-A | POLYCARBOXYLIC ACID ESTERIFIED WITH MONOVINYL ETHER, ADDITIONAL REACTIVE GROUPS, CLEAR COATS FOR AUTOMOBILES | NIPPON OIL AND FATS COMPANY, LIMITED (JP) | 1996-11-26 | — | — | US | disclosed |