⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL592212 | 0.89 | — | — | |
| SCHEMBL27577680 | 0.84 | — | — | |
| Formic Acid Methyl Ester SCHEMBL29032851 | 0.82 | PPM1B (0.32) | — | |
| SCHEMBL1767352 | 0.81 | — | — | |
| Methacrylic Acid SCHEMBL31550543 | 0.78 | PPM1B (0.33) | — | |
| Formic Acid SCHEMBL27564654 | 0.77 | TRPA1 (0.33) | — | |
| Acrylic Acid SCHEMBL31550544 | 0.77 | LMNA (0.33) | — | |
| SCHEMBL18435263 | 0.77 | — | — | |
| SCHEMBL15013857 | 0.77 | — | — | |
| SCHEMBL716267 | 0.77 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104583311-A | Insulating composite for power transmission and distribution | DOW GLOBAL TECHNOLOGIES INC | 2015-04-29 | — | — | CN | disclosed |