⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7070544 | 0.84 | — | — | |
| SCHEMBL8945620 | 0.76 | MEN1 (0.30) | — | |
| SCHEMBL2484809 | 0.76 | MEN1 (0.30) | — | |
| SCHEMBL787268 | 0.75 | MEN1 (0.32) | — | |
| SCHEMBL4268121 | 0.75 | — | — | |
| SCHEMBL27497003 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL9241488 | 0.73 | — | — | |
| Bromide SCHEMBL11042423 | 0.73 | MEN1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL7975590 | 0.73 | MEN1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL28050744 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |