⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16438261 | 0.77 | SLC1A3 (0.31) | — | |
| SCHEMBL4293673 | 0.76 | CYP2C9 (0.33) | — | |
| SCHEMBL25273935 | 0.70 | LCK (0.31) | — | |
| SCHEMBL8348026 | 0.69 | — | — | |
| SCHEMBL6415640 | 0.69 | — | — | |
| SCHEMBL17729822 | 0.66 | — | — | |
| SCHEMBL2691290 | 0.66 | FFAR3 (0.35) | — | |
| SCHEMBL6321074 | 0.65 | GRM2 (0.32) | — | |
| SCHEMBL17469443 | 0.64 | TSHR (0.33) | — | |
| SCHEMBL3202946 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2635573-A1 | HETEROCYCLIC COMPOUNDS AS S1P1 AGONISTS FOR THE TREATMENT OF AUTOIMMUNE AND VASCULAR DISEASES | Bristol-Myers Squibb Company (US) | 2013-09-11 | — | — | EP | disclosed |
| WO-2012061459-A1 | HETEROCYCLIC COMPOUNDS AS S1P1 AGONISTS FOR THE TREATMENT OF AUTOIMMUNE AND VASCULAR DISEASES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-05-10 | — | — | WO | disclosed |