⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5645604 | 0.69 | — | — | |
| SCHEMBL9152729 | 0.68 | — | — | |
| SCHEMBL11770570 | 0.65 | — | — | |
| SCHEMBL11723770 | 0.64 | MEN1 (0.33) | — | |
| SCHEMBL11770629 | 0.63 | — | — | |
| SCHEMBL9080984 | 0.63 | — | — | |
| SCHEMBL6730859 | 0.61 | — | — | |
| SCHEMBL11727433 | 0.61 | — | — | |
| SCHEMBL11726079 | 0.61 | LMNA (0.47) | — | |
| SCHEMBL11769604 | 0.60 | ALDH1A1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004031282-A1 | SYNERGISTIC COMBINATIONS OF PHENOLIC ANTIOXIDANTS | CLARIANT INTERNATIONAL LTD (CH) | 2004-04-15 | — | — | WO | disclosed |
| US-5985961-A | POLYESTER MONOFILAMENTS OF COPOLYESTERS, CARBON BLACK, ANTIOXIDANTS | JOHNS MANVILLE INTERNATIONAL, INC. (US) | 1999-11-16 | — | — | US | disclosed |
| EP-0885924-A2 | Improved monofilament | HOECHST CELANESE CORPORATION (US) | 1998-12-23 | — | — | EP | disclosed |