⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL326094 | 0.95 | — | — | |
| Water SCHEMBL5382704 | 0.90 | — | — | |
| SCHEMBL9719892 | 0.90 | — | — | |
| Ammonia Solution, Strong SCHEMBL754852 | 0.90 | — | — | |
| SCHEMBL9312342 | 0.90 | — | — | |
| Benzene SCHEMBL17493144 | 0.82 | TSHR (0.31) | — | |
| SCHEMBL15106937 | 0.79 | — | — | |
| SCHEMBL27533867 | 0.79 | — | — | |
| SCHEMBL15106936 | 0.79 | — | — | |
| Bicarbonate SCHEMBL6433769 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1212259-A1 | FLOWABLE ALKALINE FLUORIDES AND ALKALINE EARTHS FLUORIDES | Honeywell Specialty Chemicals Seelze GmbH (DE) | 2002-06-12 | — | — | EP | disclosed |
| WO-2001014253-A1 | FLOWABLE ALKALINE FLUORIDES AND ALKALINE EARTHS FLUORIDES | HONEYWELL SPECIALTY CHEMICALS SEELZE GMBH (DE) | 2001-03-01 | — | — | WO | disclosed |