⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17935725 | 0.73 | TSHR (0.47) | — | |
| SCHEMBL60384 | 0.71 | — | — | |
| SCHEMBL6000672 | 0.71 | ALDH1A1 (0.64) | — | |
| SCHEMBL59340 | 0.71 | — | — | |
| SCHEMBL30678315 | 0.71 | — | — | |
| SCHEMBL16038142 | 0.71 | ALDH1A1 (0.64) | — | |
| SCHEMBL17935677 | 0.71 | TSHR (0.46) | — | |
| SCHEMBL17935716 | 0.69 | TSHR (0.43) | — | |
| SCHEMBL11070616 | 0.69 | TSHR (0.50) | — | |
| SCHEMBL819764 | 0.69 | TSHR (0.43) | — |
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-111378182-A | Force-induced responsive polymer with single-hybrid network structure | 翁秋梅 | 2020-07-07 | — | — | CN | disclosed |