⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30844072 | 0.74 | GPR3 (0.34) | — | |
| SCHEMBL28560059 | 0.71 | HDAC8 (0.39) | — | |
| SCHEMBL5874485 | 0.70 | ACHE (0.41) | — | |
| SCHEMBL11411755 | 0.69 | HDAC8 (0.47) | — | |
| SCHEMBL31506477 | 0.69 | HDAC8 (0.47) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL4469432 | 0.67 | GPR3 (0.43) | — | |
| SCHEMBL6423133 | 0.67 | CA2 (0.39) | — | |
| Toluene SCHEMBL6508366 | 0.66 | LMNA (0.38) | — | |
| SCHEMBL8137353 | 0.64 | — | — | |
| SCHEMBL31547630 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-8100169-A | — | — | None | — | — | JP | disclosed |
| JP-H08100169-A | ANTISTATIC AGENT | DAIKIN IND LTD | 1996-04-16 | — | — | JP | disclosed |