⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17924894 | 0.85 | TYR (0.33) | — | |
| SCHEMBL17924864 | 0.82 | ATG4B (0.31) | — | |
| SCHEMBL1398019 | 0.80 | GSK3A (0.32) | — | |
| SCHEMBL3635348 | 0.80 | DAO (0.38) | — | |
| SCHEMBL7859325 | 0.79 | — | — | |
| Water SCHEMBL28158179 | 0.78 | GSK3A (0.30) | — | |
| SCHEMBL5606768 | 0.78 | HRH1 (0.38) | — | |
| SCHEMBL17924937 | 0.78 | PDE3B (0.31) | — | |
| SCHEMBL331188 | 0.77 | — | — | |
| SCHEMBL5703319 | 0.76 | STAT3 (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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110527309-A | A kind of preparation method and product of modified pitch self-healing | ZHENGZHOU LUTONG ROAD CONSTRUCTION CO LTD | 2019-12-03 | — | — | CN | claimed |
| CN-110527309-A | A kind of preparation method and product of modified pitch self-healing | ZHENGZHOU LUTONG ROAD CONSTRUCTION CO LTD | 2019-12-03 | — | — | CN | disclosed |
| CN-110066381-A | Preparation method containing the self-healing polyurethane that DA key and dynamic zinc ion are crosslinked | 上海应用技术大学 | 2019-07-30 | — | — | CN | disclosed |
| CN-110066381-A | Preparation method containing the self-healing polyurethane that DA key and dynamic zinc ion are crosslinked | 上海应用技术大学 | 2019-07-30 | — | — | CN | disclosed |
| US-6232430-B1 | PYRROLIDIN-2,5-DIONE COMPOUND | JDS UNIPHASE PHOTONICS C.V. (NL) | 2001-05-15 | — | — | US | disclosed |
| EP-0934266-A1 | CROSS-LINKERS FOR CROSS-LINKABLE OPTICAL POLYCARBONATES | Akzo Nobel N.V. (NL) | 1999-08-11 | — | — | EP | disclosed |
| WO-1998017644-A1 | CROSS-LINKERS FOR CROSS-LINKABLE OPTICAL POLYCARBONATES | AKZO NOBEL N.V. (NL) | 1998-04-30 | — | — | WO | disclosed |