⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5838 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL17700573 | 0.86 | — | — | |
| Water SCHEMBL27484907 | 0.86 | — | — | |
| SCHEMBL27945051 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL27467550 | 0.86 | — | — | |
| SCHEMBL3148506 | 0.77 | — | — | |
| SCHEMBL633464 | 0.77 | — | — | |
| SCHEMBL1072350 | 0.77 | — | — | |
| SCHEMBL3247394 | 0.77 | — | — | |
| Cyclohexane SCHEMBL3191513 | 0.76 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110165264-A1 | USE OF CILASTATIN TO REDUCE NEPHROTATOXICITY OF VARIOUS COMPOUNDS | FUNDACION PARA LA INVESTIGACION BIOMEDICA DEL HOSPITAL GREGORIO MARANON (ES) | 2011-07-07 | — | — | US | disclosed |