⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL259591 | 0.97 | — | — | |
| SCHEMBL28770045 | 0.75 | — | — | |
| SCHEMBL7167311 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL1059686 | 0.65 | — | — | |
| SCHEMBL851701 | 0.65 | — | — | |
| SCHEMBL433119 | 0.65 | — | — | |
| SCHEMBL8335212 | 0.65 | — | — | |
| SCHEMBL5255304 | 0.65 | — | — | |
| SCHEMBL14010698 | 0.63 | — | — | |
| SCHEMBL2897799 | 0.59 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2001070722-A2 | POLYFUNCTIONAL THIIRANE COMPOUNDS | PPG INDUSTRIES OHIO, INC. (US) | 2001-09-27 | — | — | WO | disclosed |
| WO-2001070853-A2 | METHOD OF PREPARING A POLYMERIZATE | PPG INDUSTRIES OHIO, INC. (US) | 2001-09-27 | — | — | WO | disclosed |