⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16073002 | 0.95 | — | — | |
| SCHEMBL19418926 | 0.78 | PTGS2 (0.32) | — | |
| SCHEMBL15479011 | 0.73 | — | — | |
| SCHEMBL12616313 | 0.72 | HSP90AB1 (0.37) | — | |
| SCHEMBL914857 | 0.70 | — | — | |
| SCHEMBL16592938 | 0.70 | — | — | |
| SCHEMBL3049119 | 0.69 | — | — | |
| SCHEMBL754863 | 0.69 | — | — | |
| SCHEMBL755121 | 0.69 | — | — | |
| SCHEMBL6538863 | 0.67 | KDM4E (0.33) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9458139-B2 | Compounds and uses thereof for the modulation of hemoglobin | GLOBAL BLOOD THERAPEUTICS, INC. (US) | 2016-10-04 | — | — | US | disclosed |
| US-20160152602-A1 | COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN | GLOBAL BLOOD THERAPEUTICS, INC. (US) | 2016-06-02 | — | — | US | disclosed |
| US-20160031865-A1 | COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN | GLOBAL BLOOD THERAPEUTICS, INC. (US) | 2016-02-04 | — | — | US | disclosed |
| US-20150086911-A1 | ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE FILM, MASK BLANKS INCLUDING ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE FILM, PATTERN FORMING METHOD AND PHOTOMASK | FUJIFILM CORPORATION (JP) | 2015-03-26 | — | — | US | disclosed |
| US-20140275176-A1 | Compounds and uses thereof for the modulation of hemoglobin | GLOBAL BLOOD THERAPEUTICS, INC. | 2014-09-18 | — | — | US | disclosed |