⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3132555 | 0.79 | FDPS (0.48) | — | |
| SCHEMBL23040947 | 0.79 | FDPS (0.48) | — | |
| SCHEMBL9846434 | 0.75 | — | — | |
| SCHEMBL6445897 | 0.74 | — | — | |
| SCHEMBL6696080 | 0.72 | — | — | |
| SCHEMBL28655698 | 0.72 | FDPS (0.37) | — | |
| SCHEMBL3840441 | 0.71 | — | — | |
| SCHEMBL1717782 | 0.70 | — | — | |
| SCHEMBL14718285 | 0.70 | FDPS (0.36) | — | |
| SCHEMBL10961496 | 0.69 | FDPS (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-0414903-A1 | NEW THIOPROLINE DERIVATIVE | KABUSHIKI KAISHA YAKULT HONSHA (JP) | 1991-03-06 | — | — | EP | disclosed |
| US-4863958-A | TREATING ALLERGIC CONDITIONS, ASTHMA, CARDIOVASCULAR DISORDERS, AND INFLAMMATION | MERCK FROSST CANADA, INC. (CA) | 1989-09-05 | — | — | US | disclosed |