⚠ 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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL2588842 | 0.83 | TSHR (0.35) | — | |
| Trifluoroacetic Acid SCHEMBL3202278 | 0.83 | — | — | |
| Trichloroacetic Acid SCHEMBL5875458 | 0.82 | ALDH1A1 (0.46) | — | |
| Oxalic Acid SCHEMBL5875016 | 0.80 | TSHR (0.33) | — | |
| SCHEMBL3709992 | 0.80 | TSHR (0.48) | — | |
| Acetic Acid SCHEMBL5874701 | 0.78 | FFAR3 (0.37) | — | |
| SCHEMBL30539 | 0.77 | TSHR (0.44) | — | |
| Tetraethylene Glycol SCHEMBL28726854 | 0.76 | MEN1 (0.55) | — | |
| Triethylene Glycol SCHEMBL28726912 | 0.76 | MEN1 (0.55) | — | |
| Succinic Acid SCHEMBL5874476 | 0.76 | EGLN1 (0.45) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210403646-A1 | ACID-CURABLE COMPOSITION | 3M INNOVATIVE PROPERTIES COMPANY | 2021-12-30 | — | — | US | disclosed |
| CN-113166407-A | Acid curable composition | 3M创新有限公司 | 2021-07-23 | — | — | CN | disclosed |
| EP-3650486-A1 | ACID-CURABLE COMPOSITION | 3M Innovative Properties Company (US) | 2020-05-13 | — | — | EP | disclosed |
| US-7128976-B2 | Composition for film formation, method of film formation, and silica-based film | JSR CORPORATION (JP) | 2006-10-31 | — | — | US | disclosed |
| US-20030091838-A1 | Composition for film formation, method of film formation, and silica-based film | JSR CORPORATION (JP) | 2003-05-15 | — | — | US | disclosed |