⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29293299 | 0.64 | — | — | |
| SCHEMBL21318160 | 0.63 | — | — | |
| SCHEMBL8059311 | 0.56 | CYP3A4 (0.44) | — | |
| SCHEMBL19981288 | 0.54 | HTR2A (0.64) | — | |
| SCHEMBL17662658 | 0.52 | ATM (0.31) | — | |
| SCHEMBL20697562 | 0.52 | — | — | |
| SCHEMBL21991219 | 0.52 | — | — | |
| SCHEMBL20260485 | 0.52 | — | — | |
| SCHEMBL17993957 | 0.51 | — | — | |
| SCHEMBL24567919 | 0.51 | FPR3 (0.34) | — |
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-2009102155-A2 | PROCESS FOR PREPARATION OF 2-METHYL-2´-PHENYLPROPIONIC ACID DERIVATIVES AND NOVEL INTERMEDIATE COMPOUNDS | YUHAN CORPORATION (KR) | 2009-08-20 | — | — | WO | disclosed |