⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4308579 | 0.73 | — | — | |
| SCHEMBL18389578 | 0.69 | — | — | |
| SCHEMBL31678165 | 0.65 | TSHR (0.32) | — | |
| SCHEMBL19924561 | 0.65 | — | — | |
| SCHEMBL12028799 | 0.63 | TP53 (0.33) | — | |
| SCHEMBL8049997 | 0.63 | — | — | |
| SCHEMBL8049996 | 0.63 | — | — | |
| SCHEMBL22192698 | 0.61 | — | — | |
| SCHEMBL23879461 | 0.58 | CYP3A4 (0.34) | — | |
| SCHEMBL24496625 | 0.57 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2003015570-A2 | INTERNALLY COATED APPLICATOR PEN AND METHOD FOR PRODUCING THE SAME | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2003-02-27 | — | — | WO | disclosed |
| WO-2002072535-A1 | MODIFIED CYANACRYLATE ESTERS, NANOCAPSULES OR MICROCAPSULES PRODUCED THEREFROM AND THEIR USE IN WASHING AND CLEANING AGENTS | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2002-09-19 | — | — | WO | disclosed |