⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10882 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL20424855 | 0.79 | CHRM3 (0.39) | — | |
| SCHEMBL10458506 | 0.77 | CHRM5 (0.40) | — | |
| SCHEMBL14123791 | 0.69 | — | — | |
| SCHEMBL2589239 | 0.63 | — | — | |
| SCHEMBL13649869 | 0.63 | TAAR1 (0.37) | — | |
| SCHEMBL1195555 | 0.62 | — | — | |
| SCHEMBL15828432 | 0.62 | SIGMAR1 (0.33) | — | |
| SCHEMBL20142997 | 0.59 | — | — | |
| SCHEMBL19642817 | 0.58 | CYP2A6 (0.39) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023116761-A1 | PYRIMIDINE HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE | 英矽智能科技知识产权有限公司 | 2023-06-29 | — | — | WO | disclosed |
| US-20230203060-A1 | FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF | GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) | 2023-06-29 | — | — | US | disclosed |
| WO-2023104035-A1 | SUBSTITUTED MONOCYCLIC OR BICYCLIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF | 英矽智能科技(上海)有限公司 | 2023-06-15 | — | — | WO | disclosed |
| WO-2021239058-A1 | FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF | 劲方医药科技(上海)有限公司 | 2021-12-02 | — | — | WO | disclosed |
| US-7700634-B2 | (Indol-3-yl) heterocycle derivatives as agonists of the cannabinoid CB1 receptor | N.V. ORGANON (NL) | 2010-04-20 | — | — | US | disclosed |
| EP-1725232-B1 | (INDOL-3-YL)-HETEROCYCLE DERIVATIVES AS AGONISTS OF THE CANNABINOID CB1 RECEPTOR | ORGANON NV (NL) | 2008-01-23 | — | — | EP | disclosed |
| US-20070142446-A1 | (Indol-3-yl) heterocycle derivatives as a agonists of the cannabinoid cb1 receptor | MERCK SHARP & DOHME B.V. (NL) | 2007-06-21 | — | — | US | disclosed |