⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10013013 | 1.00 | — | — | |
| SCHEMBL11560377 | 0.80 | — | — | |
| SCHEMBL2345572 | 0.77 | — | — | |
| SCHEMBL25640283 | 0.77 | — | — | |
| SCHEMBL19696184 | 0.77 | — | — | |
| SCHEMBL15492315 | 0.77 | — | — | |
| SCHEMBL10203179 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL1270975 | 0.76 | CHRM2 (0.48) | — | |
| SCHEMBL12507188 | 0.76 | CHRM2 (0.48) | — | |
| Hydrochloric Acid SCHEMBL27823816 | 0.76 | CHRM2 (0.48) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120264770-A1 | HSP90 INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-10-18 | — | — | US | disclosed |
| US-20120172321-A1 | HSP90 INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-07-05 | — | — | US | disclosed |