⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9480208 | 0.82 | — | — | |
| SCHEMBL19771799 | 0.80 | — | — | |
| SCHEMBL14382433 | 0.73 | — | — | |
| SCHEMBL11919370 | 0.69 | — | — | |
| SCHEMBL25055349 | 0.67 | — | — | |
| SCHEMBL8269517 | 0.67 | — | — | |
| SCHEMBL18568513 | 0.67 | — | — | |
| SCHEMBL20324501 | 0.67 | — | — | |
| SCHEMBL12964498 | 0.67 | — | — | |
| SCHEMBL24599270 | 0.67 | — | — |
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-8536185-B2 | Multiheteroaryl compounds as inhibitors of H-PGDS and their use for treating prostaglandin D2 mediated diseases | CAYMAN CHEMICAL COMPANY, INCORPORATED (US) | 2013-09-17 | — | — | US | disclosed |
| US-8450326-B2 | — | — | 2013-05-28 | — | — | US | disclosed |