⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5858052 | 0.65 | — | — | |
| SCHEMBL15537776 | 0.64 | — | — | |
| SCHEMBL17337833 | 0.61 | ALDH1A1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL10318198 | 0.58 | HDAC1 (0.32) | — | |
| SCHEMBL2465711 | 0.58 | ALDH1A1 (0.35) | — | |
| SCHEMBL14322367 | 0.58 | HDAC1 (0.33) | — | |
| SCHEMBL28855084 | 0.58 | ALDH1A1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL6813391 | 0.58 | LPL (0.32) | — | |
| SCHEMBL5860254 | 0.58 | KDM1A (0.31) | — | |
| SCHEMBL7641768 | 0.57 | ALDH1A1 (0.33) | — |
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-5464922-A | Organopolysiloxane-grafted polybenzobisoxazoles and method for preparing same | DOW CORNING ASIA LTD. (JP) | 1995-11-07 | — | — | US | disclosed |