⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29951766 | 1.00 | — | — | |
| SCHEMBL30050643 | 0.78 | CYP2A6 (0.31) | — | |
| SCHEMBL409191 | 0.78 | CYP2A6 (0.31) | — | |
| SCHEMBL8531624 | 0.76 | — | — | |
| SCHEMBL972024 | 0.72 | — | — | |
| SCHEMBL13086450 | 0.72 | — | — | |
| SCHEMBL31087642 | 0.71 | DYRK1A (0.33) | — | |
| SCHEMBL29955606 | 0.71 | HDAC8 (0.38) | — | |
| SCHEMBL29956971 | 0.70 | RAB9A (0.38) | — | |
| Hydrochloric Acid SCHEMBL8459940 | 0.70 | ALDH1A1 (0.36) | — |
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-6214881-B1 | CHEMOKINE SENSITIVE DISEASE | SMITHKLINE BEECHAM CORPORATION | 2001-04-10 | — | — | US | disclosed |