⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2386849 | 0.80 | — | — | |
| SCHEMBL14654820 | 0.79 | — | — | |
| SCHEMBL317886 | 0.79 | — | — | |
| SCHEMBL1012485 | 0.79 | OPRM1 (0.75) | — | |
| Hydrochloric Acid SCHEMBL21591495 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL22502098 | 0.78 | — | — | |
| Bromide SCHEMBL7191240 | 0.78 | — | — | |
| SCHEMBL3270575 | 0.77 | — | — | |
| SCHEMBL49007 | 0.76 | OPRM1 (0.71) | — | |
| Hydrochloric Acid SCHEMBL29135467 | 0.76 | OPRM1 (0.61) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109414453-A | composition for treating acid-base imbalance | 特里赛达公司 | 2019-03-01 | — | — | CN | claimed |
| EP-1126833-A4 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES INC (US) | 2004-09-08 | — | — | EP | disclosed |
| EP-1126833-A2 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2001-08-29 | — | — | EP | disclosed |
| WO-2000025768-A1 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2000-05-11 | — | — | WO | disclosed |