⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24016979 | 0.81 | — | — | |
| SCHEMBL19964672 | 0.72 | — | — | |
| SCHEMBL18314123 | 0.66 | GRM2 (0.42) | — | |
| SCHEMBL6030394 | 0.66 | CYP19A1 (0.45) | — | |
| SCHEMBL12550248 | 0.66 | — | — | |
| SCHEMBL25282200 | 0.65 | TUBB4A (0.40) | — | |
| SCHEMBL1518241 | 0.65 | — | — | |
| SCHEMBL16860569 | 0.65 | GABRA1 (0.32) | — | |
| SCHEMBL1441164 | 0.64 | ALDH1A1 (0.40) | — | |
| SCHEMBL3266092 | 0.63 | KDM4E (0.32) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3398214-A1 | ORGANIC SEMICONDUCTING MATERIAL AND USE THEREOF IN ORGANIC DEVICES | Heliatek GmbH (DE) | 2018-11-07 | — | — | EP | disclosed |
| EP-3087155-A1 | CONTROL OF SUSTAINED CASING PRESSURE IN WELLBORE ANNULI | Albemarle Corporation (US) | 2016-11-02 | — | — | EP | disclosed |
| US-20160289527-A1 | CONTROL OF SUSTAINED CASING PRESSURE IN WELLBORE ANNULI | ALBEMARLE CORP (US) | 2016-10-06 | — | — | US | disclosed |
| WO-2015100004-A1 | CONTROL OF SUSTAINED CASING PRESSURE IN WELLBORE ANNULI | ALBEMARLE CORPORATION (US) | 2015-07-02 | — | — | WO | disclosed |