⚠ 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 | |
|---|---|---|---|---|
| Benzaldehyde SCHEMBL573 | 0.97 | — | — | |
| Benzaldehyde SCHEMBL22400699 | 0.97 | ALDH1A1 (1.00) | — | |
| Benzaldehyde SCHEMBL9236967 | 0.97 | — | — | |
| Benzaldehyde SCHEMBL10051945 | 0.97 | — | — | |
| Benzaldehyde SCHEMBL896024 | 0.97 | ALDH1A1 (1.00) | — | |
| Benzaldehyde SCHEMBL6061133 | 0.97 | ALDH1A1 (1.00) | — | |
| Benzaldehyde SCHEMBL1330097 | 0.97 | — | — | |
| Benzaldehyde SCHEMBL4798424 | 0.93 | ALDH1A1 (0.93) | — | |
| Benzaldehyde SCHEMBL1009264 | 0.93 | — | — | |
| Benzaldehyde SCHEMBL11784651 | 0.93 | ALDH1A1 (0.93) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104624240-B | A kind of catalysis reduction benzoquinone is complex compound catalyst of hydroquinone and preparation method thereof | 天津大学 | 2017-03-15 | — | — | CN | disclosed |
| US-8759586-B2 | Processes for the preparation of cinacalcet | RANBAXY LABORATORIES LIMITED (IN) | 2014-06-24 | — | — | US | disclosed |
| US-20120309842-A1 | PROCESSES FOR THE PREPARATION OF CINACALCET | RANBAXY LABORATORIES LIMITED (IN) | 2012-12-06 | — | — | US | disclosed |
| EP-2477959-A1 | PROCESSES FOR THE PREPARATION OF CINACALCET | Ranbaxy Laboratories Limited (IN) | 2012-07-25 | — | — | EP | disclosed |
| WO-2011033473-A1 | PROCESSES FOR THE PREPARATION OF CINACALCET | RANBAXY LABORATORIES LIMITED (IN) | 2011-03-24 | — | — | WO | disclosed |