⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30135601 | 1.00 | — | — | |
| SCHEMBL29262230 | 1.00 | — | — | |
| SCHEMBL29376251 | 1.00 | — | — | |
| SCHEMBL7784853 | 1.00 | — | — | |
| SCHEMBL10356584 | 1.00 | — | — | |
| SCHEMBL7199395 | 0.71 | — | — | |
| SCHEMBL10545140 | 0.71 | — | — | |
| Bromide SCHEMBL288417 | 0.71 | — | — | |
| SCHEMBL2507 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL22686 | 0.71 | — | — |
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-117836007-A | PT conjugate and application thereof | 南京大学 | 2024-04-05 | — | — | CN | disclosed |