⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7362896 | 1.00 | — | — | |
| SCHEMBL23884959 | 0.73 | TP53 (0.39) | — | |
| SCHEMBL12629224 | 0.73 | — | — | |
| SCHEMBL14335658 | 0.73 | — | — | |
| SCHEMBL19166197 | 0.67 | TSHR (0.42) | — | |
| Butanedione SCHEMBL11518902 | 0.67 | TSHR (0.50) | — | |
| SCHEMBL2133335 | 0.67 | — | — | |
| SCHEMBL21223142 | 0.67 | TSHR (0.35) | — | |
| SCHEMBL28575017 | 0.67 | TDP1 (0.47) | — | |
| SCHEMBL4056192 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112189010-A | Triazole N-linked carbamoylcyclohexanoic acids as LPA antagonists | 百时美施贵宝公司 | 2021-01-05 | — | — | CN | disclosed |
| US-6103729-A | PREVENTION OR TREATMENT OF RESPIRATORY SYSTEM RELATED DISEASES, E.G., BRONCHIAL ASTHMA; ENZYME INHIBITOR OF PHOSPHODIESTERASE IV; ANTIINFLAMMATORY AND SPASMODIC AGENTS; RELAXANTS | CHEIL JEDANG CORP. (KR) | 2000-08-15 | — | — | US | disclosed |
| WO-1998023620-A1 | CATHECOL DERIVATIVES AND A METHOD FOR THE PREPARATION THEREOF AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME | CHEIL JEDANG CORPORATION (KR) | 1998-06-04 | — | — | WO | disclosed |