⚠ 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 | |
|---|---|---|---|---|
| Methane SCHEMBL28716732 | 0.95 | — | — | |
| SCHEMBL455299 | 0.95 | — | — | |
| Bromide SCHEMBL2059867 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL28405765 | 0.90 | — | — | |
| SCHEMBL11140190 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL28896 | 0.90 | — | — | |
| Phosphine SCHEMBL17491850 | 0.90 | — | — | |
| Iodide SCHEMBL28566891 | 0.90 | — | — | |
| Chloromethane SCHEMBL6054127 | 0.82 | — | — | |
| Iodide SCHEMBL28392478 | 0.76 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112876515-B | Triptycene carbene allyl palladium compound and application thereof | 国信宝威(北京)科技有限公司 | 2023-01-24 | — | — | CN | claimed |
| CN-112876515-A | Tripleene carbene allyl palladium compound and application thereof | 国信宝威(北京)科技有限公司 | 2021-06-01 | — | — | CN | claimed |
| CN-112876515-B | Triptycene carbene allyl palladium compound and application thereof | 国信宝威(北京)科技有限公司 | 2023-01-24 | — | — | CN | disclosed |
| CN-112876515-B | Triptycene carbene allyl palladium compound and application thereof | 国信宝威(北京)科技有限公司 | 2023-01-24 | — | — | CN | disclosed |
| CN-112876515-B | Triptycene carbene allyl palladium compound and application thereof | 国信宝威(北京)科技有限公司 | 2023-01-24 | — | — | CN | disclosed |
| CN-112876515-A | Tripleene carbene allyl palladium compound and application thereof | 国信宝威(北京)科技有限公司 | 2021-06-01 | — | — | CN | disclosed |
| CN-112876515-A | Tripleene carbene allyl palladium compound and application thereof | 国信宝威(北京)科技有限公司 | 2021-06-01 | — | — | CN | disclosed |