⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20649356 | 0.77 | ADH1B (0.31) | — | |
| SCHEMBL22313366 | 0.73 | — | — | |
| SCHEMBL18466261 | 0.71 | — | — | |
| SCHEMBL11778365 | 0.71 | TRPA1 (0.33) | — | |
| SCHEMBL13213731 | 0.71 | — | — | |
| SCHEMBL11778368 | 0.71 | TRPA1 (0.33) | — | |
| SCHEMBL4547134 | 0.71 | — | — | |
| SCHEMBL16316814 | 0.69 | KDM4E (0.42) | — | |
| SCHEMBL17666933 | 0.69 | KDM4E (0.42) | — | |
| SCHEMBL15072157 | 0.69 | — | — |
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-9725446-B2 | 7-azaindole derivatives | MERCK PATENT GMBH (DE) | 2017-08-08 | — | — | US | disclosed |
| EP-2083834-B1 | MACROCYCLIC LACTONE COMPOUNDS AND METHODS FOR THEIR USE | ELIXIR MEDICAL CORP (US) | 2017-06-21 | — | — | EP | disclosed |