⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5675768 | 0.63 | ALDH1A1 (0.37) | — | |
| SCHEMBL27550344 | 0.62 | ALDH1A1 (0.52) | — | |
| SCHEMBL9546018 | 0.62 | ALDH1A1 (0.33) | — | |
| SCHEMBL28314103 | 0.62 | ALDH1A1 (0.33) | — | |
| SCHEMBL9241224 | 0.61 | — | — | |
| Methacrylic Acid SCHEMBL9546433 | 0.59 | ALDH1A1 (0.31) | — | |
| SCHEMBL27887560 | 0.59 | — | — | |
| SCHEMBL6036462 | 0.59 | TSHR (0.30) | — | |
| SCHEMBL5024468 | 0.58 | TSHR (0.42) | — | |
| SCHEMBL10344543 | 0.58 | TSHR (0.36) | — |
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-5032658-A | Hardness, unsaturated ester | POLYMER TECHNOLOGY CORPORATION (US) | 1991-07-16 | — | — | US | disclosed |