⚠ 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 | |
|---|---|---|---|---|
| Pyridine SCHEMBL28104401 | 0.88 | TSHR (0.30) | — | |
| Pyridine SCHEMBL28098053 | 0.86 | — | — | |
| Pyridine SCHEMBL28319894 | 0.86 | — | — | |
| SCHEMBL1907294 | 0.73 | SOS1 (0.30) | — | |
| SCHEMBL8005344 | 0.72 | — | — | |
| Ammonia Solution, Strong SCHEMBL28132440 | 0.72 | — | — | |
| Pyridine SCHEMBL474044 | 0.70 | TSHR (0.47) | — | |
| Pyridine SCHEMBL28704125 | 0.70 | TSHR (0.47) | — | |
| SCHEMBL28285076 | 0.70 | — | — | |
| Piperazine SCHEMBL27802271 | 0.69 | TSHR (0.38) | — |
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-109605880-A | A kind of weather-proof high-barrier solar cell backboard and preparation method thereof | 王传忠 | 2019-04-12 | — | — | CN | claimed |