⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28477417 | 0.79 | — | — | |
| SCHEMBL1477543 | 0.75 | TSHR (0.38) | — | |
| SCHEMBL28395437 | 0.74 | — | — | |
| SCHEMBL50777 | 0.71 | ALDH1A1 (0.32) | — | |
| SCHEMBL365471 | 0.71 | — | — | |
| SCHEMBL27913833 | 0.71 | ALDH1A1 (0.32) | — | |
| Fluoride SCHEMBL23120036 | 0.68 | ALDH1A1 (0.30) | — | |
| SCHEMBL6154385 | 0.68 | ALDH1A1 (0.30) | — | |
| Ammonia Solution, Strong SCHEMBL9328292 | 0.68 | ALDH1A1 (0.30) | — | |
| SCHEMBL3041911 | 0.68 | ALDH1A1 (0.30) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113646931-A | Nonaqueous electrolyte for battery and lithium secondary battery | 三井化学株式会社 | 2021-11-12 | — | — | CN | disclosed |
| CN-113557238-A | Lithium borate compound, additive for lithium secondary battery, nonaqueous electrolyte for lithium secondary battery, lithium secondary battery precursor, and method for producing lithium secondary battery | 三井化学株式会社 | 2021-10-26 | — | — | CN | disclosed |
| CN-108352571-B | Nonaqueous electrolyte for secondary battery and secondary battery | 三井化学株式会社 | 2021-03-02 | — | — | CN | disclosed |
| CN-111630702-A | Nonaqueous electrolyte for battery and lithium secondary battery | 三井化学株式会社 | 2020-09-04 | — | — | CN | disclosed |
| EP-0197311-B1 | PROCESS FOR POLYMERIZING ETHYLENE | MITSUBISHI PETROCHEMICAL CO., LTD. (JP) | 1991-12-18 | — | — | EP | disclosed |
| US-4762898-A | Process for polymerizing ethylene | MITSUBISHI PETROCHEMICAL COMPANY LIMITED (JP) | 1988-08-09 | — | — | US | disclosed |
| EP-0197311-A2 | Process for polymerizing ethylene | MITSUBISHI PETROCHEMICAL CO., LTD. (JP) | 1986-10-15 | — | — | EP | disclosed |