⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL834023 | 0.88 | — | — | |
| SCHEMBL834024 | 0.88 | — | — | |
| SCHEMBL2770773 | 0.77 | — | — | |
| SCHEMBL8514541 | 0.76 | — | — | |
| SCHEMBL11932704 | 0.76 | MAPT (0.42) | — | |
| SCHEMBL8357521 | 0.74 | — | — | |
| SCHEMBL8395057 | 0.74 | — | — | |
| SCHEMBL27637323 | 0.70 | — | — | |
| SCHEMBL11594512 | 0.70 | — | — | |
| SCHEMBL11594509 | 0.70 | — | — |
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-110632207-B | Method for identifying mold based on volatile gas components and evolution trend thereof | 南京财经大学 | 2022-04-29 | — | — | CN | disclosed |
| CN-110632207-A | Method for identifying mold based on volatile gas components and evolution trend thereof | 南京财经大学 | 2019-12-31 | — | — | CN | disclosed |