⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL162091 | 0.76 | HPGD (0.41) | — | |
| SCHEMBL8023464 | 0.74 | — | — | |
| SCHEMBL18529294 | 0.74 | — | — | |
| SCHEMBL10399828 | 0.74 | — | — | |
| SCHEMBL2427435 | 0.74 | — | — | |
| SCHEMBL14714005 | 0.74 | MEN1 (0.30) | — | |
| Ethane SCHEMBL28967597 | 0.72 | HPGD (0.39) | — | |
| SCHEMBL15728413 | 0.72 | HCAR2 (0.42) | — | |
| SCHEMBL20150225 | 0.71 | PIM1 (0.32) | — | |
| SCHEMBL173616 | 0.69 | VCAM1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023240205-A1 | DEUTERATED COMPOUNDS | NEUROCRINE BIOSCIENCES, INC. (US) | 2023-12-14 | — | — | WO | disclosed |
| US-20100099689-A1 | METHODS OF MODULATING PPAR GAMMA-TYPE RECEPTORS | GALDERMA RESEARCH & DEVELOPMENT (FR) | 2010-04-22 | — | — | US | disclosed |