⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10775568 | 0.81 | — | — | |
| SCHEMBL8610766 | 0.74 | MAPK1 (0.40) | — | |
| SCHEMBL11510952 | 0.74 | GNAI3 (0.33) | — | |
| SCHEMBL11510950 | 0.74 | GNAI3 (0.33) | — | |
| SCHEMBL9373453 | 0.74 | — | — | |
| SCHEMBL9813720 | 0.70 | APLNR (0.44) | — | |
| SCHEMBL9622792 | 0.68 | — | — | |
| SCHEMBL9622796 | 0.68 | — | — | |
| SCHEMBL10774842 | 0.68 | GAA (0.35) | — | |
| SCHEMBL5868623 | 0.68 | — | — |
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-5852159-A | Plastic with reduced sulfur uptake rate | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-12-22 | — | — | US | disclosed |