⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL958356 | 0.71 | — | — | |
| SCHEMBL2464256 | 0.71 | — | — | |
| SCHEMBL29302458 | 0.71 | — | — | |
| SCHEMBL29313307 | 0.71 | — | — | |
| SCHEMBL10072113 | 0.67 | BMPR1B (0.34) | — | |
| SCHEMBL5088809 | 0.67 | KDM4E (0.31) | — | |
| SCHEMBL12877231 | 0.67 | TSHR (0.37) | — | |
| SCHEMBL10642406 | 0.66 | HTT (0.58) | — | |
| SCHEMBL11909610 | 0.66 | KDM4E (0.33) | — | |
| SCHEMBL10044415 | 0.64 | PTGS2 (0.48) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009127338-A1 | OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2009-10-22 | — | — | WO | disclosed |