⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2964264 | 0.76 | GLA (0.30) | — | |
| SCHEMBL15870836 | 0.72 | RAB9A (0.30) | — | |
| SCHEMBL9656768 | 0.70 | — | — | |
| SCHEMBL761451 | 0.70 | CYP19A1 (0.41) | — | |
| SCHEMBL2237090 | 0.68 | POLB (0.37) | — | |
| SCHEMBL11930018 | 0.67 | ALDH1A1 (0.31) | — | |
| SCHEMBL11936216 | 0.65 | CHRM2 (0.44) | — | |
| SCHEMBL13684311 | 0.65 | CXCR3 (0.34) | — | |
| SCHEMBL8295849 | 0.63 | CYP19A1 (0.50) | — | |
| SCHEMBL23618012 | 0.63 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017143283-A1 | RADIOLABELED MONOACYLGLYCEROL LIPASE OCCUPANCY PROBE | ABIDE THERAPEUTICS, INC. (US) | 2017-08-24 | — | — | WO | disclosed |