⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL466049 | 0.80 | ALDH1A1 (0.39) | — | |
| SCHEMBL5586346 | 0.79 | — | — | |
| SCHEMBL12160657 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL466044 | 0.73 | LMNA (0.32) | — | |
| SCHEMBL7323509 | 0.73 | LMNA (0.32) | — | |
| SCHEMBL9516484 | 0.72 | SLC22A1 (0.30) | — | |
| SCHEMBL18535098 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL7322025 | 0.71 | LMNA (0.35) | — | |
| SCHEMBL5147929 | 0.71 | LMNA (0.33) | — | |
| SCHEMBL7546450 | 0.70 | ALDH1A1 (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-3256443-B1 | FLEXIBLE CHEMICAL PRODUCTION PLATFORM | NOVOMER INC (US) | 2020-09-16 | — | — | EP | disclosed |