⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3886102 | 0.73 | HTR1A (0.32) | — | |
| SCHEMBL1381459 | 0.67 | — | — | |
| SCHEMBL636394 | 0.66 | — | — | |
| SCHEMBL23358672 | 0.64 | — | — | |
| SCHEMBL1382365 | 0.62 | — | — | |
| SCHEMBL9187319 | 0.62 | — | — | |
| SCHEMBL1382363 | 0.62 | — | — | |
| SCHEMBL635159 | 0.59 | — | — | |
| SCHEMBL4075365 | 0.57 | — | — | |
| SCHEMBL12062681 | 0.52 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6201061-B1 | CURING A RESIN FOR OPTICAL USE | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2001-03-13 | — | — | US | claimed |
| US-6631021-B2 | Photochromic article | PPG INDUSTRIES OHIO, INC. | 2003-10-07 | — | — | US | disclosed |
| US-20020010313-A1 | Polyfunctional thiirane compounds | PPG INDUSTRIES OHIO, INC. | 2002-01-24 | — | — | US | disclosed |
| US-20010047043-A1 | Method of preparing a polymerizate | PPG INDUSTRIES OHIO, INC. | 2001-11-29 | — | — | US | disclosed |
| WO-2001070722-A2 | POLYFUNCTIONAL THIIRANE COMPOUNDS | PPG INDUSTRIES OHIO, INC. (US) | 2001-09-27 | — | — | WO | disclosed |
| WO-2001070853-A2 | METHOD OF PREPARING A POLYMERIZATE | PPG INDUSTRIES OHIO, INC. (US) | 2001-09-27 | — | — | WO | disclosed |