⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10025618 | 0.80 | GBA1 (0.39) | — | |
| SCHEMBL14781421 | 0.78 | LTA4H (0.31) | — | |
| SCHEMBL13701407 | 0.74 | — | — | |
| SCHEMBL4260153 | 0.70 | ALDH1A1 (0.38) | — | |
| SCHEMBL10025619 | 0.70 | — | — | |
| SCHEMBL17853289 | 0.69 | — | — | |
| SCHEMBL25082639 | 0.68 | TP53 (0.42) | — | |
| SCHEMBL25082612 | 0.68 | TP53 (0.42) | — | |
| SCHEMBL14188552 | 0.67 | ALDH1A1 (0.36) | — | |
| SCHEMBL414929 | 0.67 | POLB (0.39) | — |
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-7585983-B2 | Alkylenedioxythiophenes and poly(alkylenedioxythiophenes) containing mesogenic groups | H.C. STARCK, GMBH (DE) | 2009-09-08 | — | — | US | disclosed |