⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28527 | 0.85 | CA1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL9085192 | 0.83 | CA1 (0.30) | — | |
| Ammonia Solution, Strong SCHEMBL28207127 | 0.83 | CA1 (0.30) | — | |
| SCHEMBL5565770 | 0.83 | CA1 (0.30) | — | |
| Bromide SCHEMBL4662499 | 0.83 | CA1 (0.30) | — | |
| SCHEMBL23227942 | 0.83 | CA1 (0.30) | — | |
| Methylene Chloride SCHEMBL5612394 | 0.81 | — | — | |
| SCHEMBL5311500 | 0.80 | HTR1A (0.33) | — | |
| SCHEMBL28163556 | 0.80 | — | — | |
| SCHEMBL5224204 | 0.79 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6133446-A | Heterocyclic compounds for the treatment of CNS and cardiovascular disorders | PHARMACIA & UPJOHN COMPANY (US) | 2000-10-17 | — | — | US | disclosed |
| EP-0737189-B1 | HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF CNS AND CARDIOVASCULAR DISORDERS | UPJOHN CO (US) | 1999-07-28 | — | — | EP | disclosed |
| US-5877317-A | Heterocyclic compounds for the treatment of CNS and cardiovascular disorders | PHARMACIA & UPJOHN COMPANY (US) | 1999-03-02 | — | — | US | disclosed |
| EP-0737189-A1 | HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF CNS AND CARDIOVASCULAR DISORDERS | PHARMACIA & UPJOHN COMPANY (US) | 1996-10-16 | — | — | EP | disclosed |
| WO-1995018118-A1 | HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF CNS AND CARDIOVASCULAR DISORDERS | THE UPJOHN COMPANY (US) | 1995-07-06 | — | — | WO | disclosed |