⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24072795 | 1.00 | — | — | |
| SCHEMBL11455988 | 0.85 | MME (0.38) | — | |
| SCHEMBL24932124 | 0.80 | — | — | |
| SCHEMBL8310023 | 0.79 | MME (0.59) | — | |
| SCHEMBL15948617 | 0.79 | MME (0.35) | — | |
| SCHEMBL20364465 | 0.79 | RNPEP (0.42) | — | |
| SCHEMBL13477147 | 0.78 | CA12 (0.34) | — | |
| SCHEMBL18179852 | 0.76 | TSHR (0.40) | — | |
| SCHEMBL1106836 | 0.76 | CYP2D6 (0.42) | — | |
| SCHEMBL11320412 | 0.76 | GABRR1 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021242923-A1 | TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | AXIAL THERAPEUTICS, INC. (US) | 2021-12-02 | — | — | WO | disclosed |
| EP-3233761-A1 | ALKYNYLPYRAZOLES AS NITRIFICATION INHIBITORS | BASF SE (DE) | 2017-10-25 | — | — | EP | disclosed |
| WO-2016124557-A1 | 2-(HET)ARYL-SUBSTITUTED CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PEST CONTROL AGENTS | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2016-08-11 | — | — | WO | disclosed |
| WO-2016097318-A1 | ALKYNYLPYRAZOLES AS NITRIFICATION INHIBITORS | BASF SE (DE) | 2016-06-23 | — | — | WO | disclosed |