⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4527805 | 0.76 | — | — | |
| SCHEMBL343264 | 0.76 | — | — | |
| SCHEMBL14764552 | 0.76 | — | — | |
| SCHEMBL17832467 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL1049688 | 0.74 | TSHR (0.39) | — | |
| Hydrochloric Acid SCHEMBL1382983 | 0.74 | — | — | |
| SCHEMBL27537687 | 0.74 | — | — | |
| SCHEMBL16581185 | 0.73 | — | — | |
| SCHEMBL1374801 | 0.71 | — | — | |
| SCHEMBL5752399 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20110263610-A1 | COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS | IRM LLC (BM) | 2011-10-27 | — | — | US | claimed |
| EP-2274302-A2 | COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS | IRM LLC (BM) | 2011-01-19 | — | — | EP | claimed |
| WO-2009123948-A2 | COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS | IRM LLC (BM) | 2009-10-08 | — | — | WO | claimed |
| CN-107406422-A | Pyrazole derivatives as sGC stimulants | 铁木医药有限公司 | 2017-11-28 | — | — | CN | disclosed |
| CN-105061313-B | Androgen receptor modulating compounds | 奥赖恩公司 | 2017-07-18 | — | — | CN | disclosed |
| EP-3028707-A1 | METHODS FOR TREATING OR PREVENTING OPHTHALMOLOGICAL DISEASES | Ophthotech Corporation (US) | 2016-06-08 | — | — | EP | disclosed |
| US-20110263610-A1 | COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS | IRM LLC (BM) | 2011-10-27 | — | — | US | disclosed |
| EP-2274302-A2 | COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS | IRM LLC (BM) | 2011-01-19 | — | — | EP | disclosed |
| WO-2009123948-A2 | COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS | IRM LLC (BM) | 2009-10-08 | — | — | WO | disclosed |