⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9936824 | 0.70 | GAA (0.68) | — | |
| SCHEMBL30519269 | 0.68 | — | — | |
| SCHEMBL87697 | 0.68 | — | — | |
| SCHEMBL272130 | 0.68 | — | — | |
| SCHEMBL10987236 | 0.68 | — | — | |
| SCHEMBL2659537 | 0.68 | — | — | |
| SCHEMBL4240507 | 0.68 | — | — | |
| SCHEMBL4740018 | 0.67 | — | — | |
| SCHEMBL3782742 | 0.67 | HDAC8 (0.50) | — | |
| SCHEMBL3223865 | 0.67 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3390363-B1 | PROCESS FOR DEPIGMENTING KERATIN MATERIALS USING THIOPYRIDINONE COMPOUNDS | OREAL (FR) | 2019-09-18 | — | — | EP | disclosed |
| EP-2306994-B1 | S1P1 RECEPTOR AGONISTS AND USE THEREOF | AMGEN INC (US) | 2013-08-14 | — | — | EP | disclosed |
| EP-2306994-A1 | S1P1 RECEPTOR AGONISTS AND USE THEREOF | Amgen, Inc (US) | 2011-04-13 | — | — | EP | disclosed |
| US-7842685-B2 | S1P1 receptor agonists and use thereof | AMGEN INC. (US) | 2010-11-30 | — | — | US | disclosed |
| US-20100029611-A1 | S1P1 receptor agonists and use thereof | AMGEN INC. (US) | 2010-02-04 | — | — | US | disclosed |
| WO-2009154775-A1 | S1P1 RECEPTOR AGONISTS AND USE THEREOF | AMGEN INC. (US) | 2009-12-23 | — | — | WO | disclosed |
| US-5814651-A | PHOSPHODIESTERASE TYPE FOUR INHIBITORS | PFIZER INC. (US) | 1998-09-29 | — | — | US | disclosed |
| EP-0672031-A1 | CATECHOL DIETHERS AS SELECTIVE PDE IV? INHIBITORS | PFIZER INC. (US) | 1995-09-20 | — | — | EP | disclosed |
| WO-1994012461-A1 | CATECHOL DIETHERS AS SELECTIVE PDEIV INHIBITORS | PFIZER INC. (US) | 1994-06-09 | — | — | WO | disclosed |