⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19230439 | 0.81 | — | — | |
| Benzoic Acid SCHEMBL11769152 | 0.81 | LMNA (0.49) | — | |
| Hydrochloric Acid SCHEMBL27514634 | 0.79 | ALDH1A1 (0.36) | — | |
| SCHEMBL4874994 | 0.79 | — | — | |
| SCHEMBL3434192 | 0.78 | LMNA (0.32) | — | |
| SCHEMBL13817718 | 0.77 | — | — | |
| SCHEMBL9816248 | 0.77 | ALDH1A1 (0.35) | — | |
| SCHEMBL1117717 | 0.76 | — | — | |
| SCHEMBL18889121 | 0.73 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL11842033 | 0.73 | HTR2A (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5510004-A | USING POLYMERS AND COPOLYMERS OF N,N-DIALLYL-3-HYDROXYAZETIDINIUM SALTS WHICH HAVE A REDUCED LEVEL OF ORGANOHALIDE BY-PRODUCTS | HERCULES INCORPORATED (US) | 1996-04-23 | — | — | US | claimed |
| US-10653631-B2 | Optimal colon targeting technology | SAUR BROSCH ROLAND (DE) | 2020-05-19 | — | — | US | disclosed |
| US-20140322316-A1 | Optimal Colon Targeting Technology | SAUR-BROSCH ROLAND (DE) | 2014-10-30 | — | — | US | disclosed |
| US-5510004-A | USING POLYMERS AND COPOLYMERS OF N,N-DIALLYL-3-HYDROXYAZETIDINIUM SALTS WHICH HAVE A REDUCED LEVEL OF ORGANOHALIDE BY-PRODUCTS | HERCULES INCORPORATED (US) | 1996-04-23 | — | — | US | disclosed |