⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8623831 | 0.81 | — | — | |
| SCHEMBL16064839 | 0.79 | — | — | |
| SCHEMBL10936256 | 0.76 | GABRR1 (0.35) | — | |
| SCHEMBL28418508 | 0.76 | TSHR (0.32) | — | |
| SCHEMBL11293240 | 0.76 | TDP1 (0.45) | — | |
| SCHEMBL6376204 | 0.74 | HPGD (0.31) | — | |
| SCHEMBL7614748 | 0.72 | KMT2A (0.47) | — | |
| SCHEMBL28661378 | 0.72 | ALDH1A1 (0.39) | — | |
| SCHEMBL347044 | 0.71 | TSHR (0.43) | — | |
| SCHEMBL11716766 | 0.71 | KMT2A (0.50) | — |
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-5830871-A | Inhibitors of E-, P- and L-selectin binding | THE SCRIPPS RESEARCH INSTITUTE (US) | 1998-11-03 | — | — | US | claimed |
| US-5830871-A | Inhibitors of E-, P- and L-selectin binding | THE SCRIPPS RESEARCH INSTITUTE (US) | 1998-11-03 | — | — | US | disclosed |