⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3947021 | 1.00 | — | — | |
| SCHEMBL28823642 | 1.00 | — | — | |
| SCHEMBL376322 | 1.00 | — | — | |
| SCHEMBL18185181 | 0.82 | — | — | |
| SCHEMBL23526853 | 0.81 | — | — | |
| SCHEMBL19468739 | 0.81 | — | — | |
| SCHEMBL22556914 | 0.80 | — | — | |
| SCHEMBL4479796 | 0.76 | — | — | |
| SCHEMBL21245204 | 0.76 | APLNR (0.33) | — | |
| SCHEMBL21275297 | 0.76 | APLNR (0.33) | — |
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-8754107-B2 | Aminopyrrolidines as chemokine receptor antagonists | ABBVIE INC. (US) | 2014-06-17 | — | — | US | disclosed |
| US-20080176883-A1 | Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone | ABBVIE INC. | 2008-07-24 | — | — | US | disclosed |