⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7590995 | 0.86 | — | — | |
| SCHEMBL4528713 | 0.74 | — | — | |
| SCHEMBL14165254 | 0.74 | — | — | |
| SCHEMBL11518614 | 0.70 | — | — | |
| SCHEMBL13145828 | 0.69 | — | — | |
| SCHEMBL14165377 | 0.67 | — | — | |
| SCHEMBL14165256 | 0.67 | GAA (0.36) | — | |
| SCHEMBL11152233 | 0.66 | NPC1 (0.30) | — | |
| SCHEMBL19663721 | 0.66 | — | — | |
| SCHEMBL14165379 | 0.66 | GAA (0.35) | — |
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-0822198-B1 | Phosphorous acid derivatives as intermediates in the preparation of Hals derivatives | CLARIANT FINANCE BVI LTD (VG) | 2002-11-06 | — | — | EP | claimed |
| JP-10087679-A | — | — | None | — | — | JP | disclosed |
| EP-0822198-B1 | Phosphorous acid derivatives as intermediates in the preparation of Hals derivatives | CLARIANT FINANCE BVI LTD (VG) | 2002-11-06 | — | — | EP | disclosed |
| US-5986098-A | Relating to organic processes | CLARIANT FINANCE (BVI) LIMITED (VG) | 1999-11-16 | — | — | US | disclosed |
| JP-H1087679-A | IMPROVEMENT IN ORGANIC METHOD OR IMPROVEMENT CONCERNING ORGANIC METHOD | CLARIANT INTERNATL LTD | 1998-04-07 | — | — | JP | disclosed |
| EP-0822198-A1 | Phosphorous acid derivatives as intermediates in the preparation of hals derivatives | Clariant Finance (BVI) Limited (VG) | 1998-02-04 | — | — | EP | disclosed |