⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5719652 | 0.97 | TSHR (0.38) | — | |
| SCHEMBL1042 | 0.97 | — | — | |
| SCHEMBL13198079 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL7323438 | 0.93 | — | — | |
| Water SCHEMBL5484486 | 0.93 | — | — | |
| Ammonia Solution, Strong SCHEMBL9221280 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL3099736 | 0.90 | — | — | |
| Oxirane SCHEMBL28874614 | 0.83 | — | — | |
| Acetic Acid SCHEMBL28401154 | 0.83 | CHRM1 (0.46) | — | |
| Tert-Butanol SCHEMBL28284358 | 0.83 | TSHR (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105154269-A | Oil dirt cleaning agent and preparation method thereof | UNIV CHINA PETROLEUM | 2015-12-16 | — | — | CN | claimed |
| CN-105154269-A | Oil dirt cleaning agent and preparation method thereof | UNIV CHINA PETROLEUM | 2015-12-16 | — | — | CN | disclosed |