⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3675819 | 0.71 | KMT2A (0.38) | — | |
| SCHEMBL9602735 | 0.70 | LMNA (0.33) | — | |
| SCHEMBL1615907 | 0.70 | — | — | |
| SCHEMBL8647309 | 0.70 | LMNA (0.33) | — | |
| SCHEMBL2721038 | 0.62 | ALDH1A1 (0.34) | — | |
| SCHEMBL1136482 | 0.62 | ALDH1A1 (0.30) | — | |
| SCHEMBL10615501 | 0.60 | SLC6A2 (0.35) | — | |
| SCHEMBL4076160 | 0.60 | SLC6A2 (0.35) | — | |
| SCHEMBL9033748 | 0.60 | — | — | |
| SCHEMBL8161711 | 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 |
|---|---|---|---|---|---|---|---|
| US-6878700-B1 | Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds | ABBOTT LABORATORIES (US) | 2005-04-12 | — | — | US | claimed |
| US-6878700-B1 | Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds | ABBOTT LABORATORIES (US) | 2005-04-12 | — | — | US | disclosed |