⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL823130 | 0.61 | — | — | |
| SCHEMBL16445367 | 0.59 | — | — | |
| SCHEMBL13493488 | 0.58 | — | — | |
| SCHEMBL3154332 | 0.57 | — | — | |
| SCHEMBL9866022 | 0.57 | — | — | |
| SCHEMBL385626 | 0.57 | — | — | |
| SCHEMBL9244981 | 0.55 | — | — | |
| SCHEMBL261785 | 0.54 | — | — | |
| SCHEMBL1401001 | 0.54 | — | — | |
| SCHEMBL18499412 | 0.54 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5821391-A | HYDROGENATING 1,3-DIOXANES IN THE PRESENCE OF A CATALYST | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-10-13 | — | — | US | disclosed |
| US-5780686-A | REACTING 1,3-DIOXANES WITH AMMONIA AND HYDROGEN IN PRESENCE OF HYDROGENATION CATALYST | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-07-14 | — | — | US | disclosed |
| US-5780687-A | REACTING 1,3-DIOXANES WITH HYDROGEN IN PRESENCE OF HYDROGENATION CATALYST | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-07-14 | — | — | US | disclosed |