⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2415848 | 0.90 | ALOX12 (0.33) | — | |
| SCHEMBL9525563 | 0.68 | — | — | |
| SCHEMBL9422728 | 0.65 | — | — | |
| SCHEMBL9727935 | 0.65 | — | — | |
| SCHEMBL3411104 | 0.65 | — | — | |
| SCHEMBL9051613 | 0.64 | — | — | |
| SCHEMBL9266316 | 0.62 | KDM5A (0.33) | — | |
| SCHEMBL27726550 | 0.61 | CETP (0.33) | — | |
| SCHEMBL9373314 | 0.61 | NAPRT (0.35) | — | |
| SCHEMBL10507186 | 0.60 | ALDH1A1 (0.36) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8022097-B2 | Adamantane-dipyrromethane derivatives, method of preparation and applications in anion sensing | RUDJER BOSKOVIC INSTITUTE (HR) | 2011-09-20 | — | — | US | disclosed |
| US-20100069648-A1 | Adamantane-Dipyrromethane Derivatives, Method Of Preparation And Applications In Anion Sensing | RUDJER BOSKOVIC INSTITUTE (HR) | 2010-03-18 | — | — | US | disclosed |
| EP-2129656-A1 | ADAMANTANE-DIPYRROMETHANE DERIVATIVES, METHOD OF PREPARATION AND APPLICATIONS IN ANION SENSING | RUDER BOSKOVIC INSTITUTE (HR) | 2009-12-09 | — | — | EP | disclosed |
| WO-2008114067-A1 | ADAMANTANE-DIPYRROMETHANE DERIVATIVES, METHOD OF PREPARATION AND APPLICATIONS IN ANION SENSING | RUDER BOSKOVIC INSTITUTE (HR) | 2008-09-25 | — | — | WO | disclosed |