⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22492983 | 0.86 | TSHR (0.32) | — | |
| SCHEMBL57923 | 0.86 | TSHR (0.32) | — | |
| SCHEMBL9452448 | 0.83 | TSHR (0.30) | — | |
| SCHEMBL11507845 | 0.82 | — | — | |
| Isopropyl Alcohol SCHEMBL28569032 | 0.81 | ALDH1A1 (0.33) | — | |
| SCHEMBL1327725 | 0.79 | — | — | |
| SCHEMBL22443202 | 0.79 | — | — | |
| SCHEMBL81639 | 0.79 | — | — | |
| Ethylene Glycol SCHEMBL29379970 | 0.79 | TSHR (0.33) | — | |
| SCHEMBL8745713 | 0.79 | — | — |
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-8256884-B2 | Ink jet ink and ink set | E I DU PONT DE NEMOURS AND COMPANY (US) | 2012-09-04 | — | — | US | claimed |
| US-20100255201-A1 | INK JET INK AND INK SET | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2010-10-07 | — | — | US | claimed |
| US-8256884-B2 | Ink jet ink and ink set | E I DU PONT DE NEMOURS AND COMPANY (US) | 2012-09-04 | — | — | US | disclosed |
| US-20100255201-A1 | INK JET INK AND INK SET | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2010-10-07 | — | — | US | disclosed |
| WO-2009124157-A1 | INK JET INK AND INK SET | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2009-10-08 | — | — | WO | disclosed |
| US-20070139476-A1 | Curable inkjet ink | E. I. DU PONT DE NEMOURS AND COMPANY | 2007-06-21 | — | — | US | disclosed |