⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL249927 | 0.81 | — | — | |
| SCHEMBL6384537 | 0.77 | GABRR1 (0.46) | — | |
| SCHEMBL5215551 | 0.77 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL13555640 | 0.77 | SRC (0.33) | — | |
| Acetic Acid SCHEMBL9466139 | 0.76 | TSHR (0.40) | — | |
| SCHEMBL11914186 | 0.76 | CHRNB2 (0.32) | — | |
| SCHEMBL16378716 | 0.75 | CHRM1 (0.35) | — | |
| SCHEMBL6722444 | 0.74 | — | — | |
| SCHEMBL28326845 | 0.74 | TSHR (0.39) | — | |
| SCHEMBL6377210 | 0.74 | BLM (0.47) | — |
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-2008089256-A2 | POLYMERIC THERAPEUTICS | CAPPELLA, INC. (US) | 2008-07-24 | — | — | WO | disclosed |