⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7028189 | 1.00 | — | — | |
| SCHEMBL5320929 | 0.77 | — | — | |
| SCHEMBL16371742 | 0.77 | TRPA1 (0.42) | — | |
| SCHEMBL11497043 | 0.74 | — | — | |
| SCHEMBL10348550 | 0.74 | — | — | |
| SCHEMBL11297068 | 0.74 | — | — | |
| SCHEMBL11036625 | 0.74 | TRPA1 (0.31) | — | |
| SCHEMBL10636574 | 0.72 | — | — | |
| SCHEMBL11350033 | 0.72 | — | — | |
| SCHEMBL8518773 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1592457-A2 | VITAMIN RECEPTOR BINDING DRUG DELIVERY CONJUGATES | Endocyte, Inc. (US) | 2005-11-09 | — | — | EP | disclosed |
| WO-2004069159-A2 | VITAMIN RECEPTOR BINDING DRUG DELIVERY CONJUGATES | ENDOCYTE, INC. (US) | 2004-08-19 | — | — | WO | disclosed |