⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL373166 | 0.73 | HSP90AA1 (0.50) | — | |
| Hydrochloric Acid SCHEMBL4760945 | 0.70 | HSP90AA1 (0.47) | — | |
| SCHEMBL28387649 | 0.70 | HSP90AA1 (0.47) | — | |
| SCHEMBL28825131 | 0.64 | HPGDS (0.46) | — | |
| SCHEMBL1421973 | 0.63 | NPC1 (0.40) | — | |
| SCHEMBL586396 | 0.63 | HSP90AA1 (0.40) | — | |
| SCHEMBL22229463 | 0.63 | HSP90AA1 (0.40) | — | |
| SCHEMBL21578108 | 0.63 | HSP90AA1 (0.40) | — | |
| SCHEMBL9792960 | 0.60 | IDO1 (0.41) | — | |
| SCHEMBL2658581 | 0.60 | HSP90AA1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-115340628-B | Preparation method and application of water-based fireproof wood paint | 江西龙正科技发展有限公司 | 2023-03-28 | — | — | CN | disclosed |
| CN-115340628-A | Preparation method and application of water-based fireproof wood paint | 江西龙正科技发展有限公司 | 2022-11-15 | — | — | CN | disclosed |