⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16237425 | 0.89 | IDO1 (0.31) | — | |
| SCHEMBL16238305 | 0.83 | — | — | |
| SCHEMBL16238100 | 0.80 | DPP4 (0.38) | — | |
| SCHEMBL16237384 | 0.75 | TP53 (0.39) | — | |
| SCHEMBL1472300 | 0.72 | — | — | |
| SCHEMBL21983594 | 0.72 | L3MBTL1 (0.32) | — | |
| SCHEMBL13953442 | 0.72 | L3MBTL1 (0.32) | — | |
| SCHEMBL13953258 | 0.72 | L3MBTL1 (0.32) | — | |
| SCHEMBL23898420 | 0.71 | CPN1 (0.34) | — | |
| SCHEMBL2329063 | 0.69 | — | — |
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-20160102058-A1 | FLUORO-PERHEXILINE COMPOUNDS AND THEIR THERAPEUTIC USE | THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) | 2016-04-14 | — | — | US | disclosed |
| US-20160102058-A1 | FLUORO-PERHEXILINE COMPOUNDS AND THEIR THERAPEUTIC USE | THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) | 2016-04-14 | — | — | US | disclosed |
| WO-2014184561-A1 | FLUORO-PERHEXILINE COMPOUNDS AND THEIR THERAPEUTIC USE | THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) | 2014-11-20 | — | — | WO | disclosed |