⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4393705 | 1.00 | — | — | |
| SCHEMBL6444393 | 0.67 | — | — | |
| SCHEMBL6444399 | 0.65 | — | — | |
| SCHEMBL25019735 | 0.52 | — | — | |
| SCHEMBL8941797 | 0.50 | — | — | |
| SCHEMBL1600848 | 0.50 | — | — | |
| SCHEMBL1600852 | 0.50 | — | — | |
| SCHEMBL18812055 | 0.50 | — | — | |
| Bromide SCHEMBL10707844 | 0.49 | CYP3A4 (0.30) | — | |
| SCHEMBL11371890 | 0.48 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7629400-B2 | Image making medium | HYMAN SYDNEY | 2009-12-08 | — | — | US | disclosed |
| US-20030035917-A1 | Image making medium | HYMAN SYDNEY (US) | 2003-02-20 | — | — | US | disclosed |
| US-6388010-B1 | ENDCAPPED WITH ORGANOSILICON COMPOUND | BANK OF AMERICA, N.A. | 2002-05-14 | — | — | US | disclosed |
| US-6060560-A | REACTING A POLYDIENE DIOL WITH A POLYISOCYANATE AT A SPECIFIC MOLAR RATIO TO FROM A STABLE PRODUCT; REACTING MORE POLYISOCYANATE AND POLYOL AND/OR REINFORCING AGENT TO ACHIEVE A HIGH SOLIDS CONTENT; COMPATABILITY | SHELL OIL COMPANY (US) | 2000-05-09 | — | — | US | disclosed |