⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18811 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL9033040 | 0.97 | TSHR (0.57) | — | |
| Hydrochloric Acid SCHEMBL29664340 | 0.97 | TSHR (0.57) | — | |
| SCHEMBL1670544 | 0.84 | — | — | |
| Dichloroacetic Acid SCHEMBL11441377 | 0.81 | TSHR (0.47) | — | |
| Fumaric Acid SCHEMBL5478623 | 0.81 | TSHR (0.47) | — | |
| Hydrazine SCHEMBL6210937 | 0.78 | PNMT (0.57) | — | |
| SCHEMBL397466 | 0.78 | ALDH1A1 (0.59) | — | |
| SCHEMBL3991309 | 0.77 | TSHR (0.61) | — | |
| SCHEMBL23239 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4334030-A1 | A CATALYTIC MATERIAL SUITABLE FOR HYDROGENATION REACTIONS COMPRISING NI, ONE OR MORE ADDITIONAL METALS M, AND A SPECIFIC OXIDIC SUPPORT MATERIAL | BASF SE (DE) | 2024-03-13 | — | — | EP | disclosed |
| EP-4142931-A1 | CATALYTIC MATERIAL COMPRISING NI SUPPORTED ON AN OXIDIC SUPPORT COMPRISING ZR AND SI | BASF SE (DE) | 2023-03-08 | — | — | EP | disclosed |
| WO-2022234021-A1 | A CATALYTIC MATERIAL SUITABLE FOR HYDROGENATION REACTIONS COMPRISING NI, ONE OR MORE ADDITIONAL METALS M, AND A SPECIFIC OXIDIC SUPPORT MATERIAL | BASF SE (DE) | 2022-11-10 | — | — | WO | disclosed |