⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21133952 | 0.92 | CYP1A2 (0.31) | — | |
| SCHEMBL21133957 | 0.92 | CYP1A2 (0.33) | — | |
| SCHEMBL21133955 | 0.77 | — | — | |
| SCHEMBL21848495 | 0.77 | ELANE (0.32) | — | |
| SCHEMBL21848496 | 0.75 | ELANE (0.32) | — | |
| SCHEMBL12938934 | 0.70 | LMNA (0.43) | — | |
| SCHEMBL18290075 | 0.69 | POLB (0.48) | — | |
| SCHEMBL27255623 | 0.69 | ELANE (0.39) | — | |
| SCHEMBL15692254 | 0.68 | ELANE (0.42) | — | |
| SCHEMBL24667645 | 0.68 | ALDH1A1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10347476-B2 | Tuned synthetic dendrimer calibrants for mass spectrometry | THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) | 2019-07-09 | — | — | US | disclosed |