⚠ 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 | |
|---|---|---|---|---|
| Formic Acid SCHEMBL8006358 | 0.84 | — | — | |
| SCHEMBL10793413 | 0.84 | — | — | |
| SCHEMBL18229469 | 0.82 | MEN1 (0.32) | — | |
| SCHEMBL229715 | 0.79 | ALDH1A1 (0.35) | — | |
| SCHEMBL19621 | 0.79 | — | — | |
| Formic Acid SCHEMBL27793477 | 0.79 | — | — | |
| Isobutyraldehyde SCHEMBL28728537 | 0.77 | AKR1B1 (0.33) | — | |
| Formaldehyde SCHEMBL27769283 | 0.76 | — | — | |
| SCHEMBL7650639 | 0.75 | ALDH1A1 (0.33) | — | |
| Bromide SCHEMBL8990184 | 0.75 | ALDH1A1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2939997-B1 | POLYETHER DIOL AND METHOD FOR PRODUCING THE SAME | MITSUBISHI GAS CHEMICAL CO (JP) | 2018-12-05 | — | — | EP | disclosed |
| US-9790155-B2 | Polyether diol and method for producing the same | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2017-10-17 | — | — | US | disclosed |
| US-20150329454-A1 | POLYETHER DIOL AND METHOD FOR PRODUCING THE SAME | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2015-11-19 | — | — | US | disclosed |
| EP-2939997-A1 | POLYETHER DIOL AND METHOD FOR PRODUCING THE SAME | Mitsubishi Gas Chemical Company, Inc. (JP) | 2015-11-04 | — | — | EP | disclosed |