⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL297153 | 0.77 | — | — | |
| SCHEMBL30678315 | 0.76 | — | — | |
| SCHEMBL6000672 | 0.76 | ALDH1A1 (0.64) | — | |
| SCHEMBL60384 | 0.76 | — | — | |
| SCHEMBL59340 | 0.76 | — | — | |
| SCHEMBL16038142 | 0.76 | ALDH1A1 (0.64) | — | |
| Hydrochloric Acid SCHEMBL23362774 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL28881411 | 0.74 | — | — | |
| Bromide SCHEMBL11219310 | 0.74 | — | — | |
| SCHEMBL645518 | 0.72 | ALDH1A1 (0.58) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109314278-B | Electrolyte solution, battery pack, electronic device, electric vehicle, power storage device, and power system | 株式会社村田制作所 | 2021-10-15 | — | — | CN | disclosed |
| EP-3699167-A1 | PROCESS FOR PREPARING METHYL 1-BENZOSUBERONE-7-CARBOXYLATE | Sanofi (FR) | 2020-08-26 | — | — | EP | disclosed |
| CN-109314278-A | Electrolyte, battery, battery pack, electronic equipment, electric vehicle, electrical storage device and electric system | 株式会社村田制作所 | 2019-02-05 | — | — | CN | disclosed |