⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21987682 | 0.69 | LMNA (0.38) | — | |
| SCHEMBL27457811 | 0.69 | LMNA (0.38) | — | |
| SCHEMBL4404375 | 0.67 | — | — | |
| SCHEMBL28739406 | 0.67 | — | — | |
| SCHEMBL26659497 | 0.67 | — | — | |
| SCHEMBL1415181 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL9078744 | 0.65 | — | — | |
| SCHEMBL7013257 | 0.62 | — | — | |
| SCHEMBL21811 | 0.62 | — | — | |
| SCHEMBL3363038 | 0.62 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102531987-A | Synthesis method of (S)-3-amino pyrrolidine dihydrochloride | SHANGHAI INST PHARM INDUSTRY | 2012-07-04 | — | — | CN | disclosed |
| CN-1128140-C | Sulfonyl urea compound containing alkylthio or propenyl oxy radical and with herbicidal activity and its prepn. | HUNAN CHEMICAL ENGINEERING INS (CN) | 2003-11-19 | — | — | CN | disclosed |
| CN-1047287-A | The alkanoylpyridinesulfonylureas of weeding | DU PONT (US) | 1990-11-28 | — | — | CN | disclosed |