⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22637 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL1500349 | 0.89 | — | — | |
| SCHEMBL8019633 | 0.89 | — | — | |
| SCHEMBL7397825 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL9538 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL428354 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL1763117 | 0.84 | — | — | |
| SCHEMBL28613908 | 0.84 | — | — | |
| Hypochlorous Acid SCHEMBL8771865 | 0.80 | — | — | |
| SCHEMBL8966656 | 0.80 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114349941-B | Double amino metal catalyst and preparation method and application thereof | 万华化学集团股份有限公司 | 2023-08-11 | — | — | CN | claimed |
| CN-114349941-B | Double amino metal catalyst and preparation method and application thereof | 万华化学集团股份有限公司 | 2023-08-11 | — | — | CN | disclosed |
| CN-114349941-A | Diamine-based metal catalyst and preparation method and application thereof | 万华化学集团股份有限公司 | 2022-04-15 | — | — | CN | disclosed |
| WO-2006055578-A2 | ASYMMETRIC SYNTHESIS OF (-)-AGELASTATIN A | TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEMS OF HIGHER EDUCATION (US) | 2006-05-26 | — | — | WO | disclosed |