⚠ 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 | |
|---|---|---|---|---|
| Acetic Acid Methyl Ester SCHEMBL2992111 | 1.00 | ALDH1A1 (0.91) | — | |
| Acetic Acid Methyl Ester SCHEMBL27897517 | 1.00 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL28296965 | 0.95 | ALDH1A1 (1.00) | — | |
| Acetic Acid Methyl Ester SCHEMBL8322448 | 0.95 | ALDH1A1 (1.00) | — | |
| Acetic Acid Methyl Ester SCHEMBL3080739 | 0.95 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL3650 | 0.95 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL23092253 | 0.91 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL147887 | 0.91 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL11460432 | 0.91 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL5055637 | 0.91 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130295463-A1 | CATHODE MATERIAL FOR LITHIUM ION SECONDARY BATTERIES AND METHOD FOR PRODUCING SAME | SHOEI CHEMICAL INC. (JP) | 2013-11-07 | — | — | US | disclosed |
| US-6235427-B1 | INTERCALATING, DEINTERCALATING TRANSITION METAL OXIDE | FUJI PHOTO FILM CO., LTD. (JP) | 2001-05-22 | — | — | US | disclosed |