⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14568423 | 0.84 | — | — | |
| SCHEMBL13527733 | 0.84 | — | — | |
| SCHEMBL20026360 | 0.79 | ACACB (0.30) | — | |
| SCHEMBL15628618 | 0.71 | WDR91 (0.40) | — | |
| SCHEMBL15628617 | 0.71 | WDR91 (0.40) | — | |
| SCHEMBL15628607 | 0.71 | ALDH1A1 (0.38) | — | |
| SCHEMBL15628549 | 0.71 | DPP4 (0.35) | — | |
| SCHEMBL15628606 | 0.71 | DPP4 (0.35) | — | |
| SCHEMBL20026233 | 0.70 | THRB (0.43) | — | |
| SCHEMBL15628457 | 0.70 | ALDH1A1 (0.40) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180094016-A1 | Triazole Compounds And Methods Of Making And Using The Same | BioVersys AG (CH) | 2018-04-05 | — | — | US | disclosed |