⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2100144 | 0.96 | — | — | |
| SCHEMBL20599585 | 0.96 | — | — | |
| SCHEMBL20599618 | 0.96 | — | — | |
| SCHEMBL3218918 | 0.77 | TDP1 (0.52) | — | |
| SCHEMBL9133399 | 0.75 | HSD17B10 (0.43) | — | |
| SCHEMBL8719451 | 0.74 | TSHR (0.40) | — | |
| SCHEMBL9345292 | 0.72 | ALDH1A1 (0.45) | — | |
| SCHEMBL11172217 | 0.72 | TSHR (0.43) | — | |
| SCHEMBL3670410 | 0.72 | — | — | |
| SCHEMBL126712 | 0.72 | — | — |
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-110114350-A | Substituted guanidine compounds | 宇部兴产株式会社 | 2019-08-09 | — | — | CN | disclosed |