⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28516406 | 0.90 | EPHX1 (0.34) | — | |
| SCHEMBL19218146 | 0.87 | — | — | |
| SCHEMBL3356852 | 0.86 | — | — | |
| SCHEMBL9914881 | 0.83 | — | — | |
| SCHEMBL11279065 | 0.79 | — | — | |
| SCHEMBL28517294 | 0.79 | NAAA (0.37) | — | |
| SCHEMBL28890982 | 0.77 | NPC1 (0.34) | — | |
| SCHEMBL27757261 | 0.76 | NPC1 (0.38) | — | |
| SCHEMBL19218049 | 0.73 | HTT (0.31) | — | |
| SCHEMBL9914883 | 0.72 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9919992-B2 | Polyether diol and method for producing the same | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2018-03-20 | — | — | US | disclosed |
| US-9919992-B2 | Polyether diol and method for producing the same | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2018-03-20 | — | — | US | disclosed |
| US-20170240495-A1 | POLYETHER DIOL AND METHOD FOR PRODUCING THE SAME | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2017-08-24 | — | — | US | disclosed |
| US-20170240495-A1 | POLYETHER DIOL AND METHOD FOR PRODUCING THE SAME | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2017-08-24 | — | — | US | disclosed |
| EP-3202757-A1 | POLYETHER DIOL AND METHOD FOR PRODUCING SAME | Mitsubishi Gas Chemical Company, Inc. (JP) | 2017-08-09 | — | — | EP | disclosed |