⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31147778 | 0.88 | MEN1 (0.31) | — | |
| SCHEMBL6402600 | 0.87 | TRIM24 (0.31) | — | |
| SCHEMBL3400536 | 0.78 | — | — | |
| SCHEMBL8927443 | 0.76 | — | — | |
| SCHEMBL14239840 | 0.71 | — | — | |
| SCHEMBL4545432 | 0.71 | MMP9 (0.32) | — | |
| SCHEMBL3054764 | 0.71 | ALDH1A1 (0.32) | — | |
| SCHEMBL17111404 | 0.69 | — | — | |
| SCHEMBL17111405 | 0.69 | — | — | |
| SCHEMBL19521305 | 0.68 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6858758-B2 | Method for producing bisphenols | BAYER AKTIENGESELLSCHAFT (DE) | 2005-02-22 | — | — | US | claimed |
| US-20150299090-A1 | SPIRO COMPOUNDS AND PHARMACEUTICAL USE THEREOF | JAPAN TOBACCO INC. (JP) | 2015-10-22 | — | — | US | disclosed |
| US-20130109710-A1 | SPIRO COMPOUNDS AND PHARMACEUTICAL USE THEREOF | JAPAN TOBACCO INC. (JP) | 2013-05-02 | — | — | US | disclosed |
| US-8299296-B2 | Spiro compounds and pharmaceutical use thereof | JAPAN TOBACCO INC. (JP) | 2012-10-30 | — | — | US | disclosed |
| US-20090170908-A1 | SPIRO COMPOUNDS AND PHARMACEUTICAL USE THEREOF | JAPAN TOBACCO INC. (JP) | 2009-07-02 | — | — | US | disclosed |
| US-6858758-B2 | Method for producing bisphenols | BAYER AKTIENGESELLSCHAFT (DE) | 2005-02-22 | — | — | US | disclosed |
| US-20030050514-A1 | Method for producing bisphenols | BAYER AKTIENGESELLSCHAFT (DE) | 2003-03-13 | — | — | US | disclosed |