⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6046332 | 0.73 | KDM4E (0.31) | — | |
| SCHEMBL1445582 | 0.73 | HSD17B10 (0.40) | — | |
| Butane SCHEMBL10551688 | 0.68 | CYP1A2 (0.36) | — | |
| SCHEMBL1721310 | 0.67 | GDA (0.39) | — | |
| 2-Aminopurine SCHEMBL29901502 | 0.66 | ALDH1A1 (0.48) | — | |
| SCHEMBL2009845 | 0.66 | KDM4E (0.35) | — | |
| SCHEMBL840561 | 0.66 | KDM4E (0.35) | — | |
| 2-Aminopurine SCHEMBL5631 | 0.66 | ALDH1A1 (0.48) | — | |
| SCHEMBL10857657 | 0.66 | KDM4E (0.36) | — | |
| Purine SCHEMBL9161533 | 0.66 | KDM4A (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1290004-A1 | METHOD OF IDENTIFYING CRITICAL POINTS WITHIN PROTEIN-PROTEIN INTERACTIONS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2003-03-12 | — | — | EP | disclosed |
| US-6365359-B1 | IDENTIFYING PRP PHARMACORE BY DETERMINING FUNCTIONAL RESIDUES OF PROTEIN INVOLVED IN COMPLEX INTERACTIONS, DEVELOPING THREE DIMENSIONAL STRUCTURES, COMPARING THEM WITH OTHER COMPOUNDS AND IDENTIFYING COMPOUNDS CONSISTENT WITH BINDING TO PROTEIN | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2002-04-02 | — | — | US | disclosed |
| WO-2001087911-A1 | METHOD OF IDENTIFYING CRITICAL POINTS WITHIN PROTEIN-PROTEIN INTERACTIONS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2001-11-22 | — | — | WO | disclosed |