⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL29242690 | 0.81 | ADRB2 (0.50) | — | |
| SCHEMBL124126 | 0.78 | ADRB2 (0.53) | — | |
| SCHEMBL9696541 | 0.77 | — | — | |
| SCHEMBL789967 | 0.74 | ADRB2 (0.50) | — | |
| SCHEMBL19177617 | 0.74 | ADRB2 (0.50) | — | |
| SCHEMBL28199321 | 0.74 | ADRB2 (0.50) | — | |
| Hexane SCHEMBL15397882 | 0.74 | TSHR (0.50) | — | |
| SCHEMBL28650711 | 0.74 | ADRB2 (0.50) | — | |
| Ammonia Solution, Strong SCHEMBL9929603 | 0.74 | ADRB2 (0.50) | — | |
| Butane SCHEMBL27715402 | 0.74 | ADRB2 (0.50) | — |
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-103937764-B | Cephalosporins raw material（7‑ACA）Production variant enzyme | 爱美科生物株式公司 | 2017-06-06 | — | — | CN | disclosed |