⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17827076 | 0.65 | — | — | |
| SCHEMBL777007 | 0.65 | — | — | |
| SCHEMBL469827 | 0.62 | — | — | |
| SCHEMBL3240862 | 0.62 | — | — | |
| SCHEMBL4825808 | 0.62 | — | — | |
| SCHEMBL9914182 | 0.62 | — | — | |
| SCHEMBL4817385 | 0.58 | — | — | |
| SCHEMBL862565 | 0.55 | — | — | |
| SCHEMBL677890 | 0.55 | — | — | |
| SCHEMBL7886845 | 0.53 | — | — |
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-20030077264-A1 | Antimicrobial blood treatment using allicin and related compounds | GAMBRO, INC. | 2003-04-24 | — | — | US | claimed |
| WO-2003075901-A2 | USE OF S-SUBSTITUTED L-CRYSTEINE FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF DERMATOLOGICAL DISORDERS | GHISALBERTI CARLO (BR) | 2003-09-18 | — | — | WO | disclosed |
| US-20030077264-A1 | Antimicrobial blood treatment using allicin and related compounds | GAMBRO, INC. | 2003-04-24 | — | — | US | disclosed |