⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28737614 | 0.79 | HSD11B1 (0.52) | — | |
| SCHEMBL1927992 | 0.75 | HSD11B1 (0.44) | — | |
| SCHEMBL12993394 | 0.71 | — | — | |
| SCHEMBL1861904 | 0.71 | — | — | |
| SCHEMBL25678378 | 0.71 | — | — | |
| SCHEMBL7145279 | 0.70 | HSD11B1 (0.36) | — | |
| SCHEMBL1067170 | 0.67 | HSD11B1 (0.61) | — | |
| SCHEMBL5411408 | 0.65 | — | — | |
| SCHEMBL5411411 | 0.65 | — | — | |
| SCHEMBL1251710 | 0.65 | — | — |
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-20170145032-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF THEIR USE | SPINIFEX PHARMACEUTICALS PTY LTD (AU) | 2017-05-25 | — | — | US | disclosed |
| US-9624243-B2 | Heterocyclic compounds and methods of their use | NOVARTIS AG (CH) | 2017-04-18 | — | — | US | disclosed |