⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1584486 | 1.00 | — | — | |
| SCHEMBL17951174 | 1.00 | — | — | |
| SCHEMBL117139 | 1.00 | — | — | |
| SCHEMBL30233749 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL6750893 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL3441892 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL21521345 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL21522364 | 0.98 | — | — | |
| SCHEMBL13007796 | 0.78 | GBA1 (0.34) | — | |
| SCHEMBL25883199 | 0.78 | — | — |
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-20160263122-A1 | NOVEL COMPOUNDS | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2016-09-15 | — | — | US | disclosed |
| US-8426604-B2 | Aminothiazolones as estrogen related receptor-alpha modulators | JANSSEN PHARMACEUTICA NV (BE) | 2013-04-23 | — | — | US | disclosed |
| US-20120172321-A1 | HSP90 INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-07-05 | — | — | US | disclosed |
| US-8071766-B2 | HSP90 inhibitors | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-12-06 | — | — | US | disclosed |
| US-20110053873-A1 | HSP90 INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-03-03 | — | — | US | disclosed |
| EP-2275412-A1 | Indole and benzimidazole derivatives | Novartis Vaccines and Diagnostics, Inc. (US) | 2011-01-19 | — | — | EP | disclosed |
| US-20090305998-A1 | HSP90 INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-12-10 | — | — | US | disclosed |
| EP-1109812-A2 | PYRROLOBENZODIAZEPINES | Spirogen Limited (GB) | 2001-06-27 | — | — | EP | disclosed |
| WO-2000012508-A2 | PYRROLBENZODIAZEPINES | SPIROGEN LIMITED (GB) | 2000-03-09 | — | — | WO | disclosed |