⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL195907 | 0.74 | — | — | |
| SCHEMBL12635943 | 0.72 | — | — | |
| SCHEMBL1140132 | 0.67 | — | — | |
| SCHEMBL112566 | 0.67 | TSHR (0.36) | — | |
| SCHEMBL4221722 | 0.61 | TSHR (0.50) | — | |
| SCHEMBL2176867 | 0.61 | — | — | |
| SCHEMBL58748 | 0.61 | GRM4 (0.45) | — | |
| SCHEMBL1725 | 0.61 | — | — | |
| SCHEMBL5574 | 0.61 | — | — | |
| SCHEMBL23304291 | 0.58 | — | — |
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-9029189-B2 | Bicyclic guanidines, metal complexes thereof and their use in vapor deposition | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2015-05-12 | — | — | US | disclosed |
| US-20110151615-A1 | BICYCLIC GUANIDINES, METAL COMPLEXES THEREOF AND THEIR USE IN VAPOR DEPOSITION | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2011-06-23 | — | — | US | disclosed |
| WO-2009105668-A1 | BICYCLIC GUANIDINES, METAL COMPLEXES THEREOF AND THEIR USE IN VAPOR DEPOSITION | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2009-08-27 | — | — | WO | disclosed |