⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21042890 | 0.78 | — | — | |
| SCHEMBL9734522 | 0.74 | DPP4 (0.30) | — | |
| SCHEMBL8260653 | 0.70 | MME (0.32) | — | |
| SCHEMBL22151735 | 0.68 | — | — | |
| SCHEMBL25082838 | 0.65 | — | — | |
| SCHEMBL24004510 | 0.65 | DPP4 (0.35) | — | |
| Hydrochloric Acid SCHEMBL17443677 | 0.64 | — | — | |
| SCHEMBL420695 | 0.64 | — | — | |
| SCHEMBL22147235 | 0.63 | — | — | |
| SCHEMBL19699508 | 0.62 | MME (0.33) | — |
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-10577346-B2 | Benzobicycloalkane derivatives, their preparation and pharmaceutical use thereof | SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) | 2020-03-03 | — | — | US | disclosed |
| US-20190161468-A1 | BENZODICYCLOALKANE DERIVATIVE, PREPARATION METHOD AND USE THEREOF | SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) | 2019-05-30 | — | — | US | disclosed |