⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL270568 | 1.00 | — | — | |
| SCHEMBL16681639 | 0.83 | TSHR (0.39) | — | |
| SCHEMBL5370146 | 0.79 | — | — | |
| SCHEMBL12173859 | 0.79 | — | — | |
| SCHEMBL10412971 | 0.78 | TSHR (0.30) | — | |
| SCHEMBL1389620 | 0.78 | PTPN1 (0.31) | — | |
| SCHEMBL17341183 | 0.78 | TSHR (0.36) | — | |
| SCHEMBL17341184 | 0.78 | TSHR (0.36) | — | |
| SCHEMBL21708244 | 0.77 | — | — | |
| SCHEMBL9578398 | 0.77 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140309174-A1 | HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER | EISAI CO., LTD (JP) | 2014-10-16 | — | — | US | disclosed |
| US-8637453-B2 | Pyruvamide compounds as inhibitors of dust mite group 1 peptidase allergen and their use | ST GEORGE'S HOSPITAL MEDICAL SCHOOL (GB) | 2014-01-28 | — | — | US | disclosed |
| US-8633224-B2 | Hemiasterlin derivatives and uses thereof in the treatment of cancer | EISAI CO., LTD. (JP) | 2014-01-21 | — | — | US | disclosed |
| US-8541363-B2 | Pyruvamide compounds as inhibitors of dust mite group 1 peptidase allergen and their use | St George's Hosptial Medical School (GB) | 2013-09-24 | — | — | US | disclosed |
| US-20130217617-A1 | Pyruvamide Compounds as Inhibitors of Dust Mite Group 1 Peptidase Allergen and Their Use | THE UNIVERSITY OF MANCHESTER (GB) | 2013-08-22 | — | — | US | disclosed |
| US-20120322722-A1 | Pyruvamide Compounds as Inhibitors of Dust Mite Group 1 Peptidase Allergen and Their Use | THE UNIVERSITY OF MANCHESTER (GB) | 2012-12-20 | — | — | US | disclosed |
| US-20120309938-A1 | HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER | EISAI CO., LTD. (JP) | 2012-12-06 | — | — | US | disclosed |