⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL10884840 | 0.98 | — | — | |
| SCHEMBL16487310 | 0.91 | TSHR (0.36) | — | |
| SCHEMBL29628970 | 0.91 | TSHR (0.36) | — | |
| SCHEMBL16487188 | 0.91 | TSHR (0.36) | — | |
| SCHEMBL16487179 | 0.91 | TSHR (0.36) | — | |
| SCHEMBL16487311 | 0.91 | TSHR (0.36) | — | |
| SCHEMBL16487400 | 0.91 | TSHR (0.36) | — | |
| SCHEMBL16487403 | 0.91 | TSHR (0.36) | — | |
| SCHEMBL3631529 | 0.84 | — | — | |
| Ammonia Solution, Strong SCHEMBL28300541 | 0.82 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015023001-A1 | NOVEL ORGANOPOLYSILOXANE, SURFACE TREATMENT AGENT COMPRISING THE SAME, RESIN COMPOSITION COMPRISING THE SAME, AND GELATINOUS PRODUCT OR CURED PRODUCT THEREOF | DOW CORNING TORAY CO., LTD. (JP) | 2015-02-19 | — | — | WO | disclosed |
| EP-1799739-B1 | GELS | AORTECH INTERNAT PLC (GB) | 2014-02-12 | — | — | EP | disclosed |
| US-8207245-B2 | Gels | AORTECH INTERNATIONAL PLC (GB) | 2012-06-26 | — | — | US | disclosed |
| US-20080293844-A1 | Gels | AORTECH BIOMATERIALS PTY LTD (AU) | 2008-11-27 | — | — | US | disclosed |