⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3377422 | 0.76 | GABRA1 (0.35) | — | |
| SCHEMBL1655686 | 0.76 | GABRA1 (0.36) | — | |
| Hydrochloric Acid SCHEMBL27870284 | 0.74 | GABRA1 (0.35) | — | |
| SCHEMBL2360008 | 0.74 | — | — | |
| SCHEMBL7104653 | 0.74 | — | — | |
| SCHEMBL7908915 | 0.74 | — | — | |
| SCHEMBL7264684 | 0.74 | — | — | |
| SCHEMBL12971516 | 0.74 | — | — | |
| SCHEMBL10427969 | 0.74 | KMT2A (0.33) | — | |
| Hydrochloric Acid SCHEMBL27995834 | 0.72 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4806559-A | Novel substituted hydroxyalkyl-azole antimycotic agents | BAYER AKTIENGESELLSCHAFT (DE) | 1989-02-21 | — | — | US | claimed |
| CN-105188670-B | Emulsion formulation | 马留斯医药有限责任公司 | 2018-11-02 | — | — | CN | disclosed |
| CN-108349985-A | Solid forms of isoquinolinones, methods of making, compositions containing, and methods of use thereof | 无限药品股份有限公司 | 2018-07-31 | — | — | CN | disclosed |
| US-20100184909-A1 | CROSSLINKABLE POLYMERS WITH HETEROAROMATIC GROUPS | HENKEL AG & CO. KGAA (DE) | 2010-07-22 | — | — | US | disclosed |
| EP-2195353-A1 | CROSSLINKABLE POLYMERS WITH HETEROAROMATIC GROUPS | Henkel AG & Co. KGaA (DE) | 2010-06-16 | — | — | EP | disclosed |
| WO-2009043655-A1 | CROSSLINKABLE POLYMERS WITH HETEROAROMATIC GROUPS | HENKEL AG & CO. KGAA (DE) | 2009-04-09 | — | — | WO | disclosed |
| WO-2003068738-A1 | PYRROLE DERIVATIVES AS LIGANDS OF MELANOCORTIN RECEPTORS | NEUROCRINE BIOSCIENCES, INC. (US) | 2003-08-21 | — | — | WO | disclosed |