⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13330829 | 1.00 | — | — | |
| SCHEMBL26255079 | 1.00 | — | — | |
| SCHEMBL22001269 | 0.83 | — | — | |
| SCHEMBL14169605 | 0.82 | CA1 (0.34) | — | |
| SCHEMBL22386672 | 0.81 | — | — | |
| SCHEMBL11598271 | 0.81 | — | — | |
| SCHEMBL13078361 | 0.80 | — | — | |
| SCHEMBL7910927 | 0.79 | — | — | |
| SCHEMBL18923134 | 0.79 | — | — | |
| SCHEMBL19934202 | 0.79 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9248199-B2 | 1:1 adducts of sickle hemoglobin | GLOBAL BLOOD THERAPEUTICS, INC. (US) | 2016-02-02 | — | — | US | disclosed |
| US-20150209443-A1 | 1:1 ADDUCTS OF SICKLE HEMOGLOBIN | GLOBAL BLOOD THERAPEUTICS, INC. (US) | 2015-07-30 | — | — | US | disclosed |
| US-7390803-B2 | Tetrahydropyranyl cyclopentyl benzylamide modulators of chemokine receptor activity | MERCK & CO., INC. (US) | 2008-06-24 | — | — | US | disclosed |
| US-7390803-B2 | Tetrahydropyranyl cyclopentyl benzylamide modulators of chemokine receptor activity | MERCK & CO., INC. (US) | 2008-06-24 | — | — | US | disclosed |