⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL197685 | 0.73 | — | — | |
| SCHEMBL369085 | 0.70 | — | — | |
| SCHEMBL11230340 | 0.69 | — | — | |
| SCHEMBL29603968 | 0.69 | — | — | |
| SCHEMBL4740218 | 0.69 | — | — | |
| SCHEMBL4497299 | 0.64 | — | — | |
| SCHEMBL3473157 | 0.64 | — | — | |
| SCHEMBL2359652 | 0.64 | — | — | |
| SCHEMBL2992488 | 0.59 | CA1 (0.33) | — | |
| SCHEMBL12158594 | 0.57 | CA1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8309743-B2 | Compound comprising triarylamine moieties and a condensed ring moiety, and the production method thereof | THE UNIVERSITY OF TOKYO (JP) | 2012-11-13 | — | — | US | disclosed |
| US-8309743-B2 | Compound comprising triarylamine moieties and a condensed ring moiety, and the production method thereof | THE UNIVERSITY OF TOKYO (JP) | 2012-11-13 | — | — | US | disclosed |