Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL775345 | 0.89 | TSHR (0.31) | — | |
| Sulfuric Acid SCHEMBL775348 | 0.87 | TSHR (0.31) | — | |
| SCHEMBL1728470 | 0.82 | TSHR (0.37) | — | |
| Hydrochloric Acid SCHEMBL422092 | 0.80 | TSHR (0.36) | — | |
| SCHEMBL864444 | 0.76 | TSHR (0.34) | — | |
| SCHEMBL28045953 | 0.76 | — | — | |
| SCHEMBL10384583 | 0.75 | ALDH1A1 (0.30) | — | |
| Acrylamide SCHEMBL15094364 | 0.75 | TSHR (0.48) | — | |
| SCHEMBL3269699 | 0.72 | TSHR (0.50) | — | |
| SCHEMBL27999239 | 0.72 | POLB (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4959432-A | HEAT RESISTANCE | UNION CARBIDE CHEMICALS AND PLASTICS COMPANY INC. (US) | 1990-09-25 | — | — | US | disclosed |
| US-4889887-A | CROSSLINKED N-(ALKOXYMETHYLENE)ACRYLYL COMPOUNDS | UNION CARBIDE CHEMICALS AND PLASTICS COMPANY INC. (US) | 1989-12-26 | — | — | US | disclosed |