⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5832951 | 0.76 | — | — | |
| SCHEMBL33684 | 0.69 | — | — | |
| SCHEMBL8846177 | 0.65 | — | — | |
| SCHEMBL7778651 | 0.65 | — | — | |
| SCHEMBL7697716 | 0.65 | — | — | |
| SCHEMBL1087491 | 0.60 | — | — | |
| SCHEMBL10778566 | 0.57 | — | — | |
| SCHEMBL9930495 | 0.55 | — | — | |
| SCHEMBL8581240 | 0.51 | — | — | |
| SCHEMBL1845804 | 0.51 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6417310-B1 | CONDENSATION POLYMERIZATION OF BRANCHED AND LOW MOLECULAR WEIGHT POLYSILOXANES USING ACID OR BASIC CATALYST; ADDING SURFACTANT, DISPERSION, AND EMULSION POLYMERIZATION | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2002-07-09 | — | — | US | disclosed |
| US-6245852-B1 | EMULSIFICATION, DISPERSING LOW MOLECULAR WEIGHT POLYSILOXANE, WATER, ANIONIC SURFACTANT; HIGH SHEAR PRESSURE; NEUTRALIZATON | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2001-06-12 | — | — | US | disclosed |