⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1031865 | 0.80 | TSHR (0.42) | — | |
| Propane SCHEMBL9456514 | 0.79 | SMN1; SMN2 (0.42) | — | |
| SCHEMBL8677271 | 0.76 | — | — | |
| Butane SCHEMBL10485249 | 0.74 | SMN1; SMN2 (0.42) | — | |
| SCHEMBL7934138 | 0.74 | SMN1; SMN2 (0.42) | — | |
| SCHEMBL16232411 | 0.70 | TSHR (0.48) | — | |
| SCHEMBL22300503 | 0.69 | — | — | |
| SCHEMBL7242511 | 0.69 | ALDH1A1 (0.42) | — | |
| Phosphonic Acid SCHEMBL974904 | 0.68 | TSHR (0.52) | — | |
| SCHEMBL13121646 | 0.67 | — | — |
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-103429663-B | Resin composition, protective film containing the same, dry film, circuit board, and multilayer circuit board | MITSUI CHEMICALS TOHCELLO, INC. (JP) | 2015-11-25 | — | — | CN | disclosed |