⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4867196 | 0.84 | ESR1 (0.31) | — | |
| SCHEMBL10015515 | 0.84 | ESR1 (0.31) | — | |
| SCHEMBL16772229 | 0.84 | ESR1 (0.31) | — | |
| SCHEMBL2394267 | 0.82 | ESR1 (0.39) | — | |
| SCHEMBL2488130 | 0.80 | ESR1 (0.38) | — | |
| SCHEMBL2527239 | 0.80 | ESR1 (0.38) | — | |
| SCHEMBL94036 | 0.80 | ALDH1A1 (0.36) | — | |
| SCHEMBL336006 | 0.79 | ESR1 (0.32) | — | |
| SCHEMBL17704580 | 0.79 | — | — | |
| SCHEMBL10014690 | 0.77 | ESR1 (0.33) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110156825-B | Preparation method of 1, 5-divinyl-3, 3-diphenyl-1, 1,5, 5-tetramethyltrisiloxane | 威海新元化工有限公司 | 2022-03-04 | — | — | CN | disclosed |
| US-8637627-B2 | Phenoxyphenyl polysiloxane composition and method for making and using same | ROHM AND HAAS COMPANY (US) | 2014-01-28 | — | — | US | disclosed |
| US-20090146324-A1 | Phenoxyphenyl polysiloxane composition and method for making and using same | ROHM AND HAAS COMPANY (US) | 2009-06-11 | — | — | US | disclosed |