⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL48694 | 1.00 | — | — | |
| SCHEMBL22620863 | 1.00 | — | — | |
| SCHEMBL2621296 | 1.00 | — | — | |
| SCHEMBL6103993 | 1.00 | — | — | |
| SCHEMBL3248723 | 1.00 | — | — | |
| SCHEMBL14389126 | 1.00 | — | — | |
| SCHEMBL6104004 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL17801619 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL6500584 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL17801618 | 0.97 | — | — |
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-3223821-A1 | SUBSTITUTED PYRIDOBENZODIAZEPINONE-DERIVATIVES AND USE THEREOF | Bayer Pharma Aktiengesellschaft (DE) | 2017-10-04 | — | — | EP | disclosed |
| WO-2016083276-A1 | SUBSTITUTED PYRIDOBENZODIAZEPINONE-DERIVATIVES AND USE THEREOF | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2016-06-02 | — | — | WO | disclosed |