⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15252640 | 0.81 | SLC22A6 (0.30) | — | |
| SCHEMBL19460530 | 0.75 | S1PR2 (0.34) | — | |
| SCHEMBL8177305 | 0.74 | TSHR (0.46) | — | |
| SCHEMBL1003412 | 0.72 | PTGS1 (0.32) | — | |
| SCHEMBL254449 | 0.71 | TSHR (0.32) | — | |
| SCHEMBL1548289 | 0.71 | PTGS1 (0.31) | — | |
| SCHEMBL2355181 | 0.71 | PTGS1 (0.31) | — | |
| SCHEMBL28372699 | 0.70 | TSHR (0.30) | — | |
| SCHEMBL10375601 | 0.70 | — | — | |
| SCHEMBL176315 | 0.70 | — | — |
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-1124584-A1 | IMPROVED BACTERICIDAL AND NON-BACTERICIDAL SOLUTIONS FOR REMOVING BIOFILMS | UNIVERSITE DE MONTREAL (CA) | 2001-08-22 | — | — | EP | disclosed |
| WO-2000027438-A1 | IMPROVED BACTERICIDAL AND NON-BACTERICIDAL SOLUTIONS FOR REMOVING BIOFILMS | UNIVERSITE DE MONTREAL (CA) | 2000-05-18 | — | — | WO | disclosed |
| US-4256597-A | DETERGENT AND PHOTOINITIATOR COMPRISING A PORPHINE OR MONO, DI, OR TRIAZO PORPHINE, OR PHTHALOCYANINE COMPOUND; WATER SOLUBILITY; STAIN REMOVAL | THE PROCTER & GAMBLE COMPANY (US) | 1981-03-17 | — | — | US | disclosed |