⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1781636 | 0.81 | TSHR (0.44) | — | |
| SCHEMBL28763076 | 0.78 | — | — | |
| SCHEMBL231380 | 0.75 | TSHR (0.42) | — | |
| SCHEMBL874045 | 0.75 | — | — | |
| SCHEMBL235272 | 0.75 | TSHR (0.42) | — | |
| SCHEMBL23701129 | 0.71 | — | — | |
| SCHEMBL677429 | 0.71 | — | — | |
| SCHEMBL16442943 | 0.71 | — | — | |
| SCHEMBL389240 | 0.71 | — | — | |
| SCHEMBL235358 | 0.71 | TSHR (0.38) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8263709-B2 | Crystal nucleating agents, crystalline polymer composition, methods of manufacture thereof, and articles thereof | UNIVERSITY OF MASSACHUSETTS (US) | 2012-09-11 | — | — | US | disclosed |
| US-20110118415-A1 | CRYSTAL NUCLEATING AGENTS, CRYSTALLINE POLYMER COMPOSITION, METHODS OF MANUFACTURE THEREOF, AND ARTICLES THEREOF | THE UNIVERSITY OF MASSACHUSETTS (US) | 2011-05-19 | — | — | US | disclosed |