⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4452321 | 0.83 | CYP19A1 (0.31) | — | |
| SCHEMBL483868 | 0.83 | CYP19A1 (0.31) | — | |
| SCHEMBL6696216 | 0.79 | CYP19A1 (0.33) | — | |
| SCHEMBL6841964 | 0.79 | CYP19A1 (0.33) | — | |
| SCHEMBL2122664 | 0.78 | CYP19A1 (0.32) | — | |
| SCHEMBL9320032 | 0.78 | CYP19A1 (0.32) | — | |
| SCHEMBL4944053 | 0.76 | CYP19A1 (0.31) | — | |
| SCHEMBL445871 | 0.73 | CYP19A1 (0.32) | — | |
| SCHEMBL8851736 | 0.73 | CYP19A1 (0.35) | — | |
| SCHEMBL6537566 | 0.73 | CYP19A1 (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7189868-B2 | Cyclic siloxane compounds and making method | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2007-03-13 | — | — | US | disclosed |
| US-20060264649-A1 | Novel cyclic siloxane compounds and making method | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2006-11-23 | — | — | US | disclosed |
| US-20040242782-A1 | Rubber composition and vulcanized rubber | SUMITOMO CHEMICAL COMPANY, LIMITED | 2004-12-02 | — | — | US | disclosed |
| EP-0095787-A1 | Coupling process for living polymers | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1983-12-07 | — | — | EP | disclosed |
| US-4408017-A | STAR POLYMERS | SHELL OIL COMPANY (US) | 1983-10-04 | — | — | US | disclosed |