⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL775818 | 0.79 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL28048632 | 0.78 | LMNA (0.32) | — | |
| SCHEMBL775819 | 0.78 | ALDH1A1 (0.54) | — | |
| SCHEMBL599033 | 0.77 | SLC7A5 (0.41) | — | |
| SCHEMBL6685291 | 0.76 | CA1 (0.33) | — | |
| SCHEMBL186138 | 0.76 | GRIN2D (0.33) | — | |
| SCHEMBL3253032 | 0.76 | TP53 (0.33) | — | |
| SCHEMBL1537296 | 0.76 | GRIN2D (0.33) | — | |
| SCHEMBL4215465 | 0.74 | TP53 (0.32) | — | |
| SCHEMBL4215424 | 0.74 | TP53 (0.32) | — |
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-0804468-B1 | METHOD OF MAKING AN OMEGA-FUNCTIONALIZED AMINO ACID DERIVATIVE | DEVELOGEN ISRAEL LTD (IL) | 2007-04-25 | — | — | EP | disclosed |
| WO-2004074316-A1 | CONFORMATIONALLY CONSTRAINED BACKBONE CYCLIZED PEPTIDE ANALOGS | GILON CHAIM (IL) | 2004-09-02 | — | — | WO | disclosed |