⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17839647 | 1.00 | — | — | |
| SCHEMBL17856128 | 0.81 | — | — | |
| SCHEMBL17839722 | 0.81 | — | — | |
| SCHEMBL17856067 | 0.81 | — | — | |
| SCHEMBL22654704 | 0.81 | — | — | |
| SCHEMBL10211875 | 0.75 | — | — | |
| SCHEMBL20859181 | 0.67 | SHBG (0.31) | — | |
| SCHEMBL3464655 | 0.67 | — | — | |
| SCHEMBL17856108 | 0.67 | — | — | |
| SCHEMBL19689382 | 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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3468977-B1 | FXR (NR1H4) MODULATING COMPOUNDS | GILEAD SCIENCES INC (US) | 2021-07-21 | — | — | EP | disclosed |
| US-9932332-B2 | FXR (NR1H4) modulating compounds | GILEAD SCIENCES, INC. (US) | 2018-04-03 | — | — | US | disclosed |
| US-9932332-B2 | FXR (NR1H4) modulating compounds | GILEAD SCIENCES, INC. (US) | 2018-04-03 | — | — | US | disclosed |
| WO-2017218379-A1 | FXR (NR1H4) MODULATING COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2017-12-21 | — | — | WO | disclosed |
| US-20170355694-A1 | FXR (NR1H4) MODULATING COMPOUNDS | PHENEX PHARMACEUTICALS AG (DE) | 2017-12-14 | — | — | US | disclosed |
| US-20170355694-A1 | FXR (NR1H4) MODULATING COMPOUNDS | PHENEX PHARMACEUTICALS AG (DE) | 2017-12-14 | — | — | US | disclosed |
| US-9751874-B2 | Hydroxy containing FXR (NR1H4) modulating compounds | GILEAD SCIENCES, INC. (US) | 2017-09-05 | — | — | US | disclosed |
| US-9751874-B2 | Hydroxy containing FXR (NR1H4) modulating compounds | GILEAD SCIENCES, INC. (US) | 2017-09-05 | — | — | US | disclosed |
| US-20160176861-A1 | HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS | GILEAD SCIENCES, INC. | 2016-06-23 | — | — | US | disclosed |
| US-20160176861-A1 | HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS | GILEAD SCIENCES, INC. | 2016-06-23 | — | — | US | disclosed |
| WO-2016096115-A1 | HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2016-06-23 | — | — | WO | disclosed |