⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6688749 | 0.77 | THRB (0.31) | — | |
| SCHEMBL27898695 | 0.75 | NPC1 (0.31) | — | |
| SCHEMBL31567994 | 0.74 | — | — | |
| SCHEMBL10783455 | 0.74 | L3MBTL1 (0.32) | — | |
| SCHEMBL27768567 | 0.71 | TSHR (0.34) | — | |
| SCHEMBL28064401 | 0.68 | — | — | |
| SCHEMBL8074486 | 0.67 | PKM (0.37) | — | |
| SCHEMBL7270073 | 0.67 | PKM (0.37) | — | |
| SCHEMBL1847048 | 0.67 | PKM (0.37) | — | |
| SCHEMBL31202874 | 0.66 | PKM (0.42) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013190212-A1 | METHOD FOR PRODUCING CHIRAL PEPTIDES | DIVERCHIM (FR) | 2013-12-27 | — | — | WO | disclosed |
| EP-0449884-A4 | DERIVATIVES OF TETRAPEPTIDES AS CCK AGONISTS | — | 1991-10-30 | — | — | EP | disclosed |
| EP-0449884-A1 | DERIVATIVES OF TETRAPEPTIDES AS CCK AGONISTS | ABBOTT LABORATORIES (US) | 1991-10-09 | — | — | EP | disclosed |
| WO-1990006937-A1 | DERIVATIVES OF TETRAPEPTIDES AS CCK AGONISTS | ABBOTT LABORATORIES (US) | 1990-06-28 | — | — | WO | disclosed |