⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11154028 | 0.60 | — | — | |
| SCHEMBL4740721 | 0.57 | — | — | |
| SCHEMBL908315 | 0.56 | — | — | |
| SCHEMBL9999337 | 0.48 | — | — | |
| SCHEMBL2632908 | 0.48 | — | — | |
| SCHEMBL15484301 | 0.46 | — | — | |
| SCHEMBL49743 | 0.44 | MAOA (0.37) | — | |
| SCHEMBL17581080 | 0.44 | — | — | |
| SCHEMBL3477835 | 0.44 | — | — | |
| Ethane SCHEMBL11390749 | 0.42 | GSK3A (0.85) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2084196-B1 | SHAPE MEMORY POLYMERS | UNIV ROCHESTER (US) | 2014-01-22 | — | — | EP | disclosed |
| US-8172873-B2 | Shape memory polymers | UNIVERSITY OF ROCHESTER (US) | 2012-05-08 | — | — | US | disclosed |
| US-20110251364-A1 | Shape Memory Polymers | NATIONAL SCIENCE FOUNDATION | 2011-10-13 | — | — | US | disclosed |
| US-7935131-B2 | Shape memory polymers | UNIVERSITY OF ROCHESTER (US) | 2011-05-03 | — | — | US | disclosed |
| EP-2084196-A2 | SHAPE MEMORY POLYMERS | University of Rochester (US) | 2009-08-05 | — | — | EP | disclosed |
| US-20080177303-A1 | Shape memory polymers | ROCHESTER, UNIVERSITY OF | 2008-07-24 | — | — | US | disclosed |
| WO-2008051318-A2 | SHAPE MEMORY POLYMERS | UNIVERSITY OF ROCHESTER (US) | 2008-05-02 | — | — | WO | disclosed |