⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7109 | 0.71 | — | — | |
| SCHEMBL1894280 | 0.71 | — | — | |
| SCHEMBL31122211 | 0.67 | ALDH1A1 (0.39) | — | |
| SCHEMBL5380892 | 0.64 | — | — | |
| Ethyne SCHEMBL5815147 | 0.64 | — | — | |
| SCHEMBL302044 | 0.64 | — | — | |
| Phosphoric Acid SCHEMBL31429786 | 0.62 | CA2 (0.38) | — | |
| SCHEMBL936061 | 0.61 | — | — | |
| SCHEMBL8580513 | 0.61 | — | — | |
| SCHEMBL1127543 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1904489-A2 | PROCESS FOR THE SYNTHESIS OF TRIAZOLES | Rib-X Pharmaceuticals, Inc. (US) | 2008-04-02 | — | — | EP | disclosed |
| WO-2006133397-A2 | PROCESS FOR THE SYNTHESIS OF TRIAZOLES | RIB-X PHARMACEUTICALS, INC. (US) | 2006-12-14 | — | — | WO | disclosed |