⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2771689 | 0.80 | NOS3 (0.35) | — | |
| SCHEMBL18103976 | 0.71 | ALDH1A1 (0.42) | — | |
| SCHEMBL21922822 | 0.71 | NOS3 (0.41) | — | |
| SCHEMBL2770492 | 0.71 | ALDH1A1 (0.44) | — | |
| SCHEMBL2771920 | 0.71 | — | — | |
| SCHEMBL19687284 | 0.68 | HSP90AA1 (0.32) | — | |
| SCHEMBL190461 | 0.68 | — | — | |
| SCHEMBL12127970 | 0.67 | TRPM8 (0.39) | — | |
| SCHEMBL26894175 | 0.67 | LMNA (0.39) | — | |
| SCHEMBL16965029 | 0.65 | S1PR2 (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-103249732-A | Bacteria topoisomerase II inhibiting 2-thylcarbamoylamino-1, 3-benzothiazol-5-yls | BIOTA EUROPE LTD | 2013-08-14 | — | — | CN | disclosed |
| EP-2181112-A1 | TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS | Merck Serono S.A. (CH) | 2010-05-05 | — | — | EP | disclosed |
| WO-2009027283-A1 | TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS | MERCK SERONO S.A. (CH) | 2009-03-05 | — | — | WO | disclosed |