⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6825939 | 1.00 | — | — | |
| SCHEMBL11058750 | 0.78 | — | — | |
| SCHEMBL9454495 | 0.78 | — | — | |
| SCHEMBL3723732 | 0.78 | — | — | |
| SCHEMBL9454491 | 0.78 | — | — | |
| SCHEMBL3144474 | 0.71 | KDM4E (0.64) | — | |
| SCHEMBL10846493 | 0.71 | KDM4E (0.64) | — | |
| SCHEMBL1616295 | 0.70 | — | — | |
| SCHEMBL1616294 | 0.70 | — | — | |
| SCHEMBL27717313 | 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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023215802-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | KUMQUAT BIOSCIENCES INC. (US) | 2023-11-09 | — | — | WO | disclosed |
| US-11312722-B2 | Hsp90 inhibitors and uses thereof | TRUSTEES OF BOSTON UNIVERSITY (US) | 2022-04-26 | — | — | US | disclosed |
| US-20200354373-A1 | HSP90 INHIBITORS AND USES THEREOF | TRUSTEES OF BOSTON UNIVERSITY (US) | 2020-11-12 | — | — | US | disclosed |
| WO-2020227368-A1 | HSP90 INHIBITORS AND USES THEREOF | TRUSTEES OF BOSTON UNIVERSITY (US) | 2020-11-12 | — | — | WO | disclosed |
| US-20160151335-A1 | METHODS OF MODULATING CFTR ACTIVITY | PROTEOSTASIS THERAPEUTICS, INC. (US) | 2016-06-02 | — | — | US | disclosed |
| EP-3013341-A1 | METHODS OF MODULATING CFTR ACTIVITY | Proteostasis Therapeutics, Inc. (US) | 2016-05-04 | — | — | EP | disclosed |
| WO-2014210159-A1 | METHODS OF MODULATING CFTR ACTIVITY | PROTEOSTASIS THERAPEUTICS, INC. (US) | 2014-12-31 | — | — | WO | disclosed |
| WO-2004063192-A1 | IMIDAZOLYL PYRIMIDINE DERIVATIVES USEFUL AS IL-8 RECEPTOR MODULATORS | PHARMACOPEIA DRUG DISCOVERY, INC. (US) | 2004-07-29 | — | — | WO | disclosed |