⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21133516 | 0.92 | KDM4E (0.30) | — | |
| SCHEMBL21441594 | 0.92 | KDM4E (0.30) | — | |
| SCHEMBL18877725 | 0.90 | ALDH1A1 (0.31) | — | |
| SCHEMBL21441750 | 0.89 | — | — | |
| SCHEMBL19263677 | 0.86 | — | — | |
| SCHEMBL21133449 | 0.86 | — | — | |
| SCHEMBL21133701 | 0.85 | ALDH1A1 (0.33) | — | |
| SCHEMBL21133459 | 0.81 | — | — | |
| SCHEMBL15431760 | 0.78 | ALDH1A1 (0.34) | — | |
| SCHEMBL21441726 | 0.77 | FPR2 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3254678-B1 | MULTIFUNCTIONAL ZWITTERIONIC POLYMER CONJUGATES | KODIAK SCIENCES INC (US) | 2020-02-19 | — | — | EP | disclosed |