⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL94361 | 0.94 | — | — | |
| SCHEMBL22686721 | 0.89 | — | — | |
| SCHEMBL17293886 | 0.89 | — | — | |
| SCHEMBL18919826 | 0.89 | — | — | |
| SCHEMBL18920334 | 0.89 | — | — | |
| Bromide SCHEMBL28131776 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL20585916 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL18920320 | 0.84 | — | — | |
| Bromide SCHEMBL28131777 | 0.84 | — | — | |
| SCHEMBL20585917 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1996039622-A1 | METHOD FOR MEASURING INTESTINAL INTEGRITY | MALLINCKRODT MEDICAL, INC. (US) | 1996-12-12 | — | — | WO | claimed |
| WO-1996039622-A1 | METHOD FOR MEASURING INTESTINAL INTEGRITY | MALLINCKRODT MEDICAL, INC. (US) | 1996-12-12 | — | — | WO | disclosed |