⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8236320 | 0.93 | INMT (0.52) | — | |
| SCHEMBL1177147 | 0.86 | — | — | |
| Bromide SCHEMBL11211719 | 0.83 | — | — | |
| SCHEMBL2887326 | 0.69 | — | — | |
| SCHEMBL7622419 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL11484689 | 0.67 | — | — | |
| SCHEMBL82580 | 0.67 | — | — | |
| SCHEMBL13057791 | 0.67 | — | — | |
| SCHEMBL14428798 | 0.67 | INMT (0.39) | — | |
| SCHEMBL14428797 | 0.67 | BRD4 (0.52) | — |
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-8048877-B2 | Guanidine derivatives and their medical use | NEUROSEARCH A/S (DK) | 2011-11-01 | — | — | US | disclosed |
| US-20090099208-A1 | NOVEL GUANIDINE DERIVATIVES AND THEIR MEDICAL USE | ACESION PHARMA APS (DK) | 2009-04-16 | — | — | US | disclosed |
| WO-2007110363-A1 | NOVEL GUANIDINE DERIVATIVES AND THEIR MEDICAL USE | NEUROSEARCH A/S (DK) | 2007-10-04 | — | — | WO | disclosed |