⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2524574 | 0.83 | — | — | |
| SCHEMBL2023512 | 0.78 | — | — | |
| SCHEMBL3485305 | 0.75 | ALDH1A1 (0.32) | — | |
| Water SCHEMBL6913374 | 0.74 | ALDH1A1 (0.31) | — | |
| Oxirane SCHEMBL1375156 | 0.70 | SLC13A5 (0.31) | — | |
| SCHEMBL3748421 | 0.66 | — | — | |
| SCHEMBL413416 | 0.65 | — | — | |
| SCHEMBL32675817 | 0.64 | TSHR (0.32) | — | |
| SCHEMBL2589615 | 0.62 | ALDH1A1 (0.32) | — | |
| SCHEMBL3719747 | 0.61 | ALDH1A1 (0.34) | — |
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-20090028957-A1 | Implantable Tissue-Reactive Biomaterial Compositions and Systems, and Methods of Us Thereof | DANILOFF GEORGE Y | 2009-01-29 | — | — | US | disclosed |
| WO-2006113845-A1 | IMPLANTABLE TISSUE-REACTIVE BIOMATERIAL COMPOSITIONS AND SYSTEMS, AND METHODS OF USE THEREOF | THERABIT, INC. (US) | 2006-10-26 | — | — | WO | disclosed |