⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7627662 | 0.91 | ACHE (0.33) | — | |
| SCHEMBL9793464 | 0.86 | ACHE (0.31) | — | |
| SCHEMBL6384362 | 0.82 | ACHE (0.32) | — | |
| SCHEMBL85826 | 0.75 | ACHE (0.38) | — | |
| SCHEMBL65262 | 0.74 | POLB (0.35) | — | |
| SCHEMBL20149540 | 0.72 | HSD17B10 (0.35) | — | |
| SCHEMBL18090612 | 0.72 | HSD17B10 (0.32) | — | |
| SCHEMBL2495732 | 0.72 | ACHE (0.36) | — | |
| SCHEMBL9489154 | 0.72 | KDM4E (0.37) | — | |
| Hydrochloric Acid SCHEMBL8982051 | 0.71 | POLB (0.33) | — |
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-9678083-B2 | Protected amine labels and use in detecting analytes | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2017-06-13 | — | — | US | disclosed |