⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11771843 | 0.83 | SLC1A3 (0.44) | — | |
| SCHEMBL1604267 | 0.82 | TDP1 (0.50) | — | |
| SCHEMBL4756190 | 0.82 | TDP1 (0.50) | — | |
| SCHEMBL13761133 | 0.82 | TDP1 (0.50) | — | |
| SCHEMBL25146258 | 0.81 | SLC1A3 (0.43) | — | |
| SCHEMBL8982021 | 0.81 | GLO1 (0.48) | — | |
| SCHEMBL1694215 | 0.81 | SLC1A3 (0.43) | — | |
| SCHEMBL12492435 | 0.81 | — | — | |
| SCHEMBL4902637 | 0.81 | GLO1 (0.48) | — | |
| SCHEMBL30626325 | 0.81 | GLO1 (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-103820019-B | Aqueous polyurethane Stripable paint and preparation method thereof | SERVTEK MATERIAL TECHNOLOGY CO., LTD. (CN) | 2016-02-17 | — | — | CN | disclosed |