⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8824263 | 0.75 | — | — | |
| 1,3-Propanediol SCHEMBL28783002 | 0.69 | TSHR (0.33) | — | |
| SCHEMBL14813696 | 0.67 | TSHR (0.32) | — | |
| SCHEMBL5868387 | 0.65 | USP2 (0.35) | — | |
| 1,4-Butanediol SCHEMBL15062855 | 0.65 | TSHR (0.69) | — | |
| SCHEMBL6658042 | 0.64 | TSHR (0.32) | — | |
| SCHEMBL28346686 | 0.64 | USP2 (0.38) | — | |
| SCHEMBL14724953 | 0.64 | — | — | |
| SCHEMBL12652077 | 0.64 | ALOX15 (0.33) | — | |
| SCHEMBL4562302 | 0.64 | — | — |
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-119301171-A | Polyaspartic floor coating formulation with extended handling time | 科思创有限公司 | 2025-01-10 | — | — | CN | disclosed |