⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2961784 | 0.82 | ATM (0.31) | — | |
| Crotonic Acid SCHEMBL27984413 | 0.77 | HCAR2 (0.37) | — | |
| SCHEMBL28118898 | 0.77 | LMNA (0.31) | — | |
| SCHEMBL27528260 | 0.75 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL2043794 | 0.74 | ALDH1A1 (0.43) | — | |
| SCHEMBL28104790 | 0.72 | POLB (0.30) | — | |
| SCHEMBL1679630 | 0.70 | ATM (0.34) | — | |
| SCHEMBL6911076 | 0.69 | — | — | |
| SCHEMBL6653471 | 0.69 | TSHR (0.41) | — | |
| SCHEMBL27854061 | 0.69 | LMNA (0.35) | — |
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-105714580-A | Environment-friendly, alkali-resistant and high-temperature-resistant defoamer for textile printing and dyeing and preparation method thereof | 苏州三和开泰花线织造有限公司 | 2016-06-29 | — | — | CN | disclosed |