⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL988542 | 0.98 | — | — | |
| SCHEMBL25808356 | 0.81 | — | — | |
| SCHEMBL20259984 | 0.81 | TSHR (0.32) | — | |
| SCHEMBL11104672 | 0.77 | — | — | |
| SCHEMBL28964667 | 0.75 | — | — | |
| SCHEMBL8845875 | 0.75 | KCNH2 (0.31) | — | |
| SCHEMBL27472783 | 0.74 | — | — | |
| SCHEMBL13286287 | 0.74 | ADH1B (0.38) | — | |
| SCHEMBL6290109 | 0.74 | TSHR (0.38) | — | |
| Hydrochloric Acid SCHEMBL28489763 | 0.73 | — | — |
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-102105439-B | Method for producing N-substituted carbamate and method for producing isocyanate using the N-substituted carbamate | ASAHI KASEI CHEMICALS CORP. (JP) | 2016-04-20 | — | — | CN | disclosed |