⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27473223 | 0.80 | KCNH2 (0.31) | — | |
| SCHEMBL11198720 | 0.77 | EGLN1 (0.37) | — | |
| SCHEMBL609003 | 0.76 | TSHR (0.35) | — | |
| SCHEMBL321630 | 0.74 | GABRA1 (0.36) | — | |
| SCHEMBL575137 | 0.74 | LMNA (0.34) | — | |
| SCHEMBL27736621 | 0.72 | CA2 (0.31) | — | |
| Ammonia Solution, Strong SCHEMBL3678405 | 0.71 | — | — | |
| SCHEMBL700849 | 0.71 | — | — | |
| SCHEMBL10622860 | 0.70 | — | — | |
| SCHEMBL17581394 | 0.69 | — | — |
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-11050285-A | — | — | None | — | — | JP | disclosed |
| JP-H1150285-A | PRODUCTION OF HIGH-PURITY BETA-HYDROXYETHYLTRIETHYL AMMONIUM HYDROXIDE | NIPPON HIDORAJIN KOGYO KK | 1999-02-23 | — | — | JP | disclosed |