⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29156509 | 0.80 | ALDH1A1 (0.32) | — | |
| SCHEMBL517101 | 0.75 | — | — | |
| SCHEMBL23023815 | 0.73 | NPC1 (0.33) | — | |
| SCHEMBL9163351 | 0.72 | — | — | |
| SCHEMBL5705399 | 0.70 | — | — | |
| SCHEMBL6809392 | 0.70 | — | — | |
| SCHEMBL27964409 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL6809374 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL392381 | 0.68 | — | — | |
| SCHEMBL24403554 | 0.68 | — | — |
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-115895160-A | Polyester fiber reinforced polydicyclopentadiene composite material and preparation method thereof | 东实汽车科技集团股份有限公司 | 2023-04-04 | — | — | CN | disclosed |