⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL678193 | 0.72 | — | — | |
| SCHEMBL330829 | 0.71 | NAAA (0.55) | — | |
| SCHEMBL29410061 | 0.69 | NAAA (0.59) | — | |
| SCHEMBL21406523 | 0.68 | — | — | |
| SCHEMBL8762328 | 0.67 | — | — | |
| SCHEMBL9906573 | 0.67 | — | — | |
| SCHEMBL31395027 | 0.66 | — | — | |
| SCHEMBL483904 | 0.66 | — | — | |
| SCHEMBL13207710 | 0.65 | — | — | |
| SCHEMBL15228548 | 0.65 | NAAA (0.50) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114369097-B | Heteroaromatic AhR inhibitors | 山东轩竹医药科技有限公司 | 2023-07-14 | — | — | CN | disclosed |
| CN-114369097-A | Heteroaromatic AhR inhibitors | 山东轩竹医药科技有限公司 | 2022-04-19 | — | — | CN | disclosed |
| CN-107922423-B | Nitrogen-containing tricyclic derivatives having HIV replication inhibiting effect | 盐野义制药株式会社 | 2020-10-27 | — | — | CN | disclosed |
| CN-111138458-A | Nitrogen-containing tricyclic derivatives having HIV replication inhibiting effect | 盐野义制药株式会社 | 2020-05-12 | — | — | CN | disclosed |
| EP-1381593-A2 | (2-HYDROXY)ETHYL-THIOUREAS USEFUL AS MODULATORS OF ALPHA2B ADRENERGIC RECEPTORS | Allergan, Inc. (US) | 2004-01-21 | — | — | EP | disclosed |
| WO-2002068384-A2 | (2-HYDROXY)ETHYL-THIOUREAS USEFUL AS MODULATORS OF ALPHA2B ADRENERGIC RECEPTORS | ALLERGAN, INC. (US) | 2002-09-06 | — | — | WO | disclosed |