⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1663575 | 0.78 | — | — | |
| SCHEMBL296872 | 0.58 | IDO1 (0.44) | — | |
| SCHEMBL14305986 | 0.58 | IDO1 (0.44) | — | |
| SCHEMBL2547326 | 0.57 | — | — | |
| SCHEMBL1662055 | 0.57 | TAAR1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL25187772 | 0.57 | IDO1 (0.46) | — | |
| Hydrochloric Acid SCHEMBL22713509 | 0.57 | IDO1 (0.46) | — | |
| Hydrochloric Acid SCHEMBL22713511 | 0.57 | IDO1 (0.46) | — | |
| SCHEMBL2551842 | 0.57 | — | — | |
| SCHEMBL20531764 | 0.52 | CES2 (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2011524906-A | — | — | 2011-09-08 | — | — | JP | claimed |
| EP-2306994-A1 | S1P1 RECEPTOR AGONISTS AND USE THEREOF | Amgen, Inc (US) | 2011-04-13 | — | — | EP | claimed |
| WO-2009154775-A1 | S1P1 RECEPTOR AGONISTS AND USE THEREOF | AMGEN INC. (US) | 2009-12-23 | — | — | WO | claimed |
| EP-2306994-A1 | S1P1 RECEPTOR AGONISTS AND USE THEREOF | Amgen, Inc (US) | 2011-04-13 | — | — | EP | disclosed |
| WO-2009154775-A1 | S1P1 RECEPTOR AGONISTS AND USE THEREOF | AMGEN INC. (US) | 2009-12-23 | — | — | WO | disclosed |