⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11379603 | 0.84 | — | — | |
| SCHEMBL11194425 | 0.76 | — | — | |
| SCHEMBL11194430 | 0.76 | — | — | |
| SCHEMBL8253254 | 0.75 | DPP4 (0.56) | — | |
| SCHEMBL8250544 | 0.75 | DPP4 (0.56) | — | |
| SCHEMBL3155911 | 0.74 | — | — | |
| SCHEMBL11383967 | 0.72 | DPP4 (0.32) | — | |
| SCHEMBL11383968 | 0.72 | DPP4 (0.32) | — | |
| SCHEMBL11381705 | 0.71 | DPP4 (0.46) | — | |
| SCHEMBL11375717 | 0.71 | MAPT (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 |
|---|---|---|---|---|---|---|---|
| US-4267174-A | AND PROCESS FOR ADMINISTERING | BOEHRINGER MANNHEIM, GMBH (DE) | 1981-05-12 | — | — | US | disclosed |