⚠ 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 SCHEMBL28104111 | 0.98 | — | — | |
| SCHEMBL6740642 | 0.85 | TSHR (0.32) | — | |
| SCHEMBL28497703 | 0.84 | OPRM1 (0.40) | — | |
| SCHEMBL30662145 | 0.84 | OPRM1 (0.40) | — | |
| SCHEMBL31529685 | 0.84 | OPRM1 (0.40) | — | |
| SCHEMBL30662146 | 0.84 | OPRM1 (0.40) | — | |
| SCHEMBL3403631 | 0.84 | OPRM1 (0.40) | — | |
| SCHEMBL14964363 | 0.84 | OPRM1 (0.40) | — | |
| SCHEMBL28994652 | 0.83 | — | — | |
| SCHEMBL29936004 | 0.83 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105492407-B | Curable organopolysiloxane compositions | 瓦克化学股份公司 | 2017-04-12 | — | — | CN | disclosed |
| US-9447208-B2 | Rubber composition for tire, vulcanized rubber composition for tire, and tires using same | BRIDGESTONE CORPORATION (JP) | 2016-09-20 | — | — | US | disclosed |
| US-20140357804-A1 | RUBBER COMPOSITION FOR TIRE, VULCANIZED RUBBER COMPOSITION FOR TIRE, AND TIRES USING SAME | BRIDGESTONE CORPORATION (JP) | 2014-12-04 | — | — | US | disclosed |
| EP-1964669-B1 | REFLECTIVE FILM | MITSUBISHI PLASTICS INC (JP) | 2012-09-26 | — | — | EP | disclosed |
| US-20100279091-A1 | REFLECTIVE FILM | MITSUBISHI PLASTICS, INC. (JP) | 2010-11-04 | — | — | US | disclosed |
| EP-2220156-A1 | HYDROPHOBIC MODIFICATION OF MINERAL FILLERS AND MIXED POLYMER SYSTEMS | Pacific Polymers Pty Ltd (AU) | 2010-08-25 | — | — | EP | disclosed |
| WO-2009059382-A1 | HYDROPHOBIC MODIFICATION OF MINERAL FILLERS AND MIXED POLYMER SYSTEMS | PACIFIC POLYMERS PTY LTD (AU) | 2009-05-14 | — | — | WO | disclosed |
| EP-1964669-A1 | REFLECTIVE FILM | MITSUBISHI PLASTICS INC. (JP) | 2008-09-03 | — | — | EP | disclosed |