⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3077499 | 0.69 | NOS3 (0.36) | — | |
| SCHEMBL5177022 | 0.67 | — | — | |
| SCHEMBL4104657 | 0.67 | — | — | |
| SCHEMBL3383946 | 0.66 | — | — | |
| Guanidine SCHEMBL11792289 | 0.63 | — | — | |
| SCHEMBL385132 | 0.63 | — | — | |
| SCHEMBL11559481 | 0.61 | — | — | |
| SCHEMBL3004264 | 0.61 | — | — | |
| SCHEMBL10947218 | 0.60 | — | — | |
| Hypochlorous Acid SCHEMBL9453380 | 0.60 | NOS3 (0.40) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5719187-A | Compounds having a guanidine structure and pharmaceutical composition containing same | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE(CNRS) (FR) | 1998-02-17 | — | — | US | disclosed |
| US-5480884-A | Compounds having a guanidine structure | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 1996-01-02 | — | — | US | disclosed |