⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7079017 | 0.83 | — | — | |
| SCHEMBL6685568 | 0.81 | ALDH1A1 (0.32) | — | |
| SCHEMBL253076 | 0.73 | — | — | |
| SCHEMBL5383 | 0.73 | — | — | |
| SCHEMBL4588217 | 0.72 | — | — | |
| Hydrogen Sulfide SCHEMBL27366405 | 0.71 | — | — | |
| Ammonia Solution, Strong SCHEMBL28122501 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL28662790 | 0.71 | — | — | |
| Water SCHEMBL6682358 | 0.71 | APOBEC3G (0.32) | — | |
| Hydrochloric Acid SCHEMBL17361360 | 0.70 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3253210-B1 | 2-(HET) ARYL-SUBSTITUTED CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES | BAYER CROPSCIENCE AG (DE) | 2021-11-24 | — | — | EP | disclosed |
| US-6627758-B2 | Ligand including (i) at least two different types of heteroatoms selected from nitrogen, phosphorus, and sulfur, and (ii) at least one of imidazole, pyrazole, and pyridine; transition metal complex for carbonylation to aldehyde | SAN DIEGO STATE UNIVERSITY FOUNDATION | 2003-09-30 | — | — | US | disclosed |
| WO-2002066425-A2 | COMPOSITIONS AND METHODS FOR HYDRATION OF TERMINAL ALKYNES | SAN DIEGO STATE UNIVERSITY FOUNDATION (US) | 2002-08-29 | — | — | WO | disclosed |
| US-20020115860-A1 | Compositions and methods for hydration of terminal alkynes | SAN DIEGO STATE UNIVERSITY FOUNDATION (US) | 2002-08-22 | — | — | US | disclosed |
| US-6380393-B1 | COMPLEX CONTAINING PYRAZOLE RING | SAN DIEGO STATE UNIVERSITY FOUNDATION | 2002-04-30 | — | — | US | disclosed |
| WO-2000056717-A1 | LIGANDS, TRANSITION METAL COMPLEXES AND METHODS OF USING SAME | SAN DIEGO STATE UNIVERSITY FOUNDATION (US) | 2000-09-28 | — | — | WO | disclosed |