⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17687683 | 0.89 | — | — | |
| Fluoride SCHEMBL9317915 | 0.89 | — | — | |
| Ammonia Solution, Strong SCHEMBL3663452 | 0.89 | — | — | |
| Water SCHEMBL3330190 | 0.89 | — | — | |
| SCHEMBL5091223 | 0.89 | — | — | |
| SCHEMBL31400384 | 0.89 | — | — | |
| SCHEMBL30958550 | 0.89 | — | — | |
| SCHEMBL8168449 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL11862211 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL11862218 | 0.84 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106998682-A | Formulation of insecticides with physical action pattern | ICB制药公司 | 2017-08-01 | — | — | CN | disclosed |
| US-8648211-B2 | Surface-modifying silicone elastomers | BROOK MICHAEL A (CA) | 2014-02-11 | — | — | US | disclosed |
| US-20120226001-A1 | SURFACE-MODIFYING SILICONE ELASTOMERS | MCMASTER UNIVERSITY (CA) | 2012-09-06 | — | — | US | disclosed |
| WO-2011022827-A1 | SURFACE-MODIFYING SILICONE ELASTOMERS | MCMASTER UNIVERSITY (CA) | 2011-03-03 | — | — | WO | disclosed |