⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28392033 | 0.76 | GRM2 (0.31) | — | |
| SCHEMBL1000119 | 0.73 | CYP1A2 (0.33) | — | |
| SCHEMBL1732885 | 0.73 | CYP1A2 (0.33) | — | |
| SCHEMBL1733291 | 0.73 | CYP1A2 (0.33) | — | |
| SCHEMBL3202946 | 0.67 | — | — | |
| Trifluoroacetic Acid SCHEMBL31031817 | 0.66 | FAAH (0.42) | — | |
| Trifluoroacetic Acid SCHEMBL27841664 | 0.66 | FAAH (0.42) | — | |
| SCHEMBL31430102 | 0.65 | SLC22A6 (0.31) | — | |
| SCHEMBL2691290 | 0.64 | FFAR3 (0.35) | — | |
| Trifluoroacetic Acid SCHEMBL281599 | 0.63 | FAAH (0.40) | — |
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 |