⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8208300 | 0.77 | — | — | |
| SCHEMBL1237669 | 0.74 | CES2 (0.35) | — | |
| SCHEMBL7872543 | 0.73 | CES2 (0.32) | — | |
| SCHEMBL6284491 | 0.71 | PDE2A (0.42) | — | |
| SCHEMBL25187678 | 0.69 | CES2 (0.40) | — | |
| SCHEMBL8186328 | 0.69 | IDO1 (0.41) | — | |
| SCHEMBL7868609 | 0.68 | IDO1 (0.40) | — | |
| SCHEMBL15936029 | 0.68 | — | — | |
| SCHEMBL26931606 | 0.68 | DPP4 (0.36) | — | |
| SCHEMBL28671392 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6392083-B2 | REACTING A CYANOBENZYLAMINE WITH AN ACID SELECTED FROM HYDROCHLORIC ACID, SULFURIC ACID, ACETIC ACID, TRIFLUROACETIC ACID AND PROPIONIC ACID TO FORM A SALT HAVING HIGH BULK DENSITY | SHOWA DENKO K.K. (JP) | 2002-05-21 | — | — | US | disclosed |
| US-20010049453-A1 | Process for producing salts of cyanobenzylamines | SHOWA DENKO K.K. | 2001-12-06 | — | — | US | disclosed |
| EP-1151989-A1 | PROCESS FOR PRODUCING SALT OF CYANOBENZYLAMINE OR DERIVATIVE | Showa Denko K.K. (JP) | 2001-11-07 | — | — | EP | disclosed |