⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL263810 | 0.76 | — | — | |
| SCHEMBL6261190 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL508111 | 0.73 | — | — | |
| SCHEMBL2955355 | 0.71 | — | — | |
| SCHEMBL3785750 | 0.71 | — | — | |
| SCHEMBL16428427 | 0.69 | — | — | |
| Bromide SCHEMBL8855369 | 0.69 | — | — | |
| Bicarbonate SCHEMBL5014541 | 0.67 | CYP1A2 (0.33) | — | |
| Hydrochloric Acid SCHEMBL28854389 | 0.67 | — | — | |
| SCHEMBL10339644 | 0.67 | — | — |
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-20080286165-A1 | Guanidine Based Composition and System for Same | GRAUPNER ROBERT K | 2008-11-20 | — | — | US | claimed |
| EP-1742871-A2 | GUANIDINE BASED COMPOSITION AND SYSTEM FOR SAME | Graupner, Robert K. (US) | 2007-01-17 | — | — | EP | claimed |
| WO-2005108289-A2 | GUANIDINE BASED COMPOSITION AND SYSTEM FOR SAME | GRAUPNER ROBERT K (US) | 2005-11-17 | — | — | WO | claimed |