⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24923470 | 0.83 | KDM1A (0.41) | — | |
| SCHEMBL108373 | 0.78 | — | — | |
| SCHEMBL3235392 | 0.77 | KDM1A (0.36) | — | |
| SCHEMBL3235405 | 0.77 | KDM1A (0.36) | — | |
| Hydrochloric Acid SCHEMBL7431491 | 0.76 | ALOX15 (0.56) | — | |
| Ammonia Solution, Strong SCHEMBL8726310 | 0.75 | KDM1A (0.35) | — | |
| SCHEMBL4858614 | 0.74 | — | — | |
| SCHEMBL10525107 | 0.74 | — | — | |
| SCHEMBL4858604 | 0.74 | — | — | |
| SCHEMBL10525110 | 0.74 | — | — |
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-2020263832-A1 | E3 LIGASE BINDERS AND USES THEREOF | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2020-12-30 | — | — | WO | disclosed |