⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1274085 | 1.00 | — | — | |
| SCHEMBL3420260 | 0.79 | TMEM97 (0.34) | — | |
| SCHEMBL3420255 | 0.79 | TMEM97 (0.34) | — | |
| SCHEMBL1274386 | 0.79 | — | — | |
| SCHEMBL16174736 | 0.73 | MEN1 (0.32) | — | |
| SCHEMBL17688357 | 0.69 | — | — | |
| SCHEMBL1273950 | 0.69 | CA2 (0.30) | — | |
| SCHEMBL3428682 | 0.68 | L3MBTL1 (0.33) | — | |
| SCHEMBL5711628 | 0.67 | ALDH1A1 (0.32) | — | |
| SCHEMBL1274084 | 0.66 | — | — |
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-20110046332-A1 | HYDROGEL BASED ON COPOLYMERS CONTAINING SILICONE | EVONIK ROEHM GMBH (DE) | 2011-02-24 | — | — | US | claimed |
| US-20110046332-A1 | HYDROGEL BASED ON COPOLYMERS CONTAINING SILICONE | EVONIK ROEHM GMBH (DE) | 2011-02-24 | — | — | US | disclosed |