⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18176763 | 0.79 | — | — | |
| SCHEMBL19657435 | 0.75 | ERBB2 (0.35) | — | |
| SCHEMBL14256585 | 0.73 | — | — | |
| SCHEMBL15907049 | 0.69 | CES2 (0.39) | — | |
| SCHEMBL14180712 | 0.68 | — | — | |
| SCHEMBL22173844 | 0.67 | — | — | |
| SCHEMBL22642297 | 0.67 | MAPT (0.32) | — | |
| SCHEMBL5089878 | 0.65 | — | — | |
| SCHEMBL21440419 | 0.65 | IDO1 (0.32) | — | |
| SCHEMBL14628413 | 0.64 | ERBB2 (0.35) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9359547-B2 | Wellbore servicing compositions and methods of making and using same | HALLIBURTON ENERGY SERVICES, INC. (US) | 2016-06-07 | — | — | US | disclosed |
| US-20140213490-A1 | Wellbore Servicing Compositions and Methods of Making and Using Same | HALLIBURTON ENERGY SERVICES, INC. (US) | 2014-07-31 | — | — | US | disclosed |
| US-8445706-B2 | Unnatural amino acids capable of covalently modifying protein phosphatases and their use as general and specific inhibitors and probes | BOARD OF TRUSTEES OF NORTHERN ILLINOIS UNIVERSITY (US) | 2013-05-21 | — | — | US | disclosed |