⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL588497 | 0.98 | — | — | |
| SCHEMBL27742672 | 0.95 | — | — | |
| Butane SCHEMBL28165284 | 0.95 | MAOA (0.40) | — | |
| SCHEMBL10538535 | 0.91 | MAOA (0.38) | — | |
| SCHEMBL28043570 | 0.89 | MAOA (0.37) | — | |
| Heptane SCHEMBL28035775 | 0.87 | GPR84 (0.49) | — | |
| Pyridine SCHEMBL28289827 | 0.84 | MAOA (0.34) | — | |
| SCHEMBL1338045 | 0.84 | — | — | |
| SCHEMBL28595733 | 0.82 | CYP1A2 (0.38) | — | |
| SCHEMBL28108542 | 0.82 | DNM1 (0.41) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106292209-A | A kind of efficiency light photoresist stripper and application thereof | 苏州晶瑞化学股份有限公司 | 2017-01-04 | — | — | CN | claimed |
| CN-113683535-B | Compound containing cyanoguanidine structure and preparation method and application thereof | 中国药科大学 | 2022-08-30 | — | — | CN | disclosed |
| CN-113683535-A | Compound containing cyanoguanidine structure and preparation method and application thereof | 中国药科大学 | 2021-11-23 | — | — | CN | disclosed |
| CN-106292209-A | A kind of efficiency light photoresist stripper and application thereof | 苏州晶瑞化学股份有限公司 | 2017-01-04 | — | — | CN | disclosed |