⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28118723 | 0.97 | — | — | |
| SCHEMBL7712937 | 0.75 | RNPEP (0.60) | — | |
| SCHEMBL3093445 | 0.73 | RNPEP (0.68) | — | |
| SCHEMBL3796923 | 0.73 | FOLH1 (0.68) | — | |
| SCHEMBL931181 | 0.73 | FOLH1 (0.68) | — | |
| SCHEMBL7712929 | 0.73 | — | — | |
| SCHEMBL525901 | 0.71 | — | — | |
| SCHEMBL7782840 | 0.71 | FOLH1 (0.65) | — | |
| SCHEMBL11045979 | 0.71 | FOLH1 (0.65) | — | |
| Potassium SCHEMBL11044250 | 0.71 | FOLH1 (0.65) | — |
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-4727151-A | CLEAVED TO DRUGS IN VIVO BY CHEMICAL OR ENZYMATIC HYDROLYSIS | INTERX RESEARCH CORPORATION (US) | 1988-02-23 | — | — | US | disclosed |
| US-4160099-A | Labile, non-heterocyclic quaternary ammonium salt/esters as transient derivatives | INTERX RESEARCH CORPORATION | 1979-07-03 | — | — | US | disclosed |