⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8894680 | 0.85 | ALDH1A1 (0.31) | — | |
| SCHEMBL8895958 | 0.85 | ALDH1A1 (0.31) | — | |
| SCHEMBL8896617 | 0.79 | — | — | |
| SCHEMBL8893393 | 0.79 | — | — | |
| SCHEMBL8894677 | 0.79 | — | — | |
| SCHEMBL8894067 | 0.79 | — | — | |
| SCHEMBL8894670 | 0.77 | MEN1 (0.40) | — | |
| SCHEMBL8708275 | 0.77 | FOLH1 (0.33) | — | |
| SCHEMBL8893641 | 0.76 | ALDH1A1 (0.32) | — | |
| SCHEMBL3047902 | 0.75 | ALDH1A1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5624897-A | PARASITICIDES, NEMATOSIDES OF CYCLIC PEPTIDE LACTONES FOR VETERINARY MEDICINE | BAYER AKTIENGESELLSCHAFT (DE) | 1997-04-29 | — | — | US | disclosed |