⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL665307 | 0.74 | — | — | |
| SCHEMBL2179562 | 0.72 | — | — | |
| SCHEMBL28827941 | 0.72 | — | — | |
| SCHEMBL4043860 | 0.72 | — | — | |
| SCHEMBL2001324 | 0.72 | — | — | |
| SCHEMBL2490509 | 0.71 | TSHR (0.32) | — | |
| SCHEMBL464539 | 0.70 | — | — | |
| SCHEMBL464619 | 0.70 | — | — | |
| SCHEMBL15592294 | 0.69 | — | — | |
| SCHEMBL365897 | 0.67 | — | — |
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-8084395-B2 | 4-aza indole derivatives and their use as fungicides | SYNGENTA CROP PROTECTION, INC. (US) | 2011-12-27 | — | — | US | disclosed |
| US-20100184598-A1 | 4-AZA INDOLE DERIVATIVES AND THEIR USE AS FUNGICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2010-07-22 | — | — | US | disclosed |
| US-6747021-B2 | ANTICARCINOGENIC AGENT WITH LOW TOXICITY | ELI LILLY AND COMPANY | 2004-06-08 | — | — | US | disclosed |
| US-20020065261-A1 | Anticarcinogenic agent with low toxicity | UNIVERSITY OF HAWAII | 2002-05-30 | — | — | US | disclosed |