⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9580129 | 0.75 | — | — | |
| SCHEMBL2536654 | 0.75 | — | — | |
| SCHEMBL12425150 | 0.69 | — | — | |
| SCHEMBL984153 | 0.69 | — | — | |
| SCHEMBL969203 | 0.69 | — | — | |
| SCHEMBL23210163 | 0.69 | — | — | |
| SCHEMBL2010571 | 0.69 | — | — | |
| SCHEMBL3881716 | 0.65 | — | — | |
| SCHEMBL12374828 | 0.65 | — | — | |
| SCHEMBL12820212 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3853219-B1 | HERBICIDALLY ACTIVE SUBSTITUTED PHENYLPYRIMIDINE HYDRAZIDES | BAYER AG (DE) | 2023-07-12 | — | — | EP | disclosed |
| WO-2011103433-A1 | PYRIDO[4,3-B]INDOLE AND PYRIDO[3,4-B]INDOLE DERIVATIVES AND METHODS OF USE | MEDIVATION TECHNOLOGIES, INC. (US) | 2011-08-25 | — | — | WO | disclosed |