⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL218123 | 0.79 | — | — | |
| SCHEMBL2001106 | 0.79 | HDAC1 (0.31) | — | |
| SCHEMBL1754296 | 0.75 | — | — | |
| SCHEMBL92725 | 0.65 | — | — | |
| SCHEMBL6410943 | 0.65 | — | — | |
| SCHEMBL972121 | 0.65 | — | — | |
| SCHEMBL17514547 | 0.62 | — | — | |
| SCHEMBL13271001 | 0.61 | ACHE (0.33) | — | |
| SCHEMBL6840719 | 0.61 | — | — | |
| SCHEMBL12446940 | 0.61 | RAPGEF4 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6291472-B1 | 4a, 5a, 8a, 8b-tetrahydro-6H-pyrrolo[3′,4′:4, 5]furo[3,2-b] pyri-dine-6,8(7H)-dione derivatives for control of endoparasites processes for their preparation | BAYER AKTIENGESELLSCHAFT (DE) | 2001-09-18 | — | — | US | disclosed |
| US-6110928-A | HUMAN OR VETERINARY MEDICINE | BAYER AKTIENGESELLSCHAFT (DE) | 2000-08-29 | — | — | US | disclosed |