⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10093851 | 0.81 | — | — | |
| SCHEMBL24818581 | 0.77 | — | — | |
| SCHEMBL24819069 | 0.77 | — | — | |
| SCHEMBL24180077 | 0.76 | SIGMAR1 (0.34) | — | |
| SCHEMBL21168663 | 0.74 | HTT (0.38) | — | |
| SCHEMBL23837998 | 0.74 | — | — | |
| SCHEMBL20991827 | 0.73 | — | — | |
| SCHEMBL20622126 | 0.70 | GNAI3 (0.41) | — | |
| SCHEMBL24818609 | 0.68 | ANPEP (0.36) | — | |
| SCHEMBL15001824 | 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 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 |