⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11219430 | 0.83 | — | — | |
| SCHEMBL11228086 | 0.74 | NEK2 (0.32) | — | |
| SCHEMBL11277989 | 0.72 | LMNA (0.60) | — | |
| SCHEMBL16015717 | 0.71 | TLR9 (0.41) | — | |
| SCHEMBL16015716 | 0.70 | — | — | |
| SCHEMBL26472384 | 0.66 | CTSD (0.32) | — | |
| Trifluoroacetic Acid SCHEMBL17319053 | 0.65 | HRH4 (0.31) | — | |
| SCHEMBL22783794 | 0.65 | PIK3CD (0.43) | — | |
| SCHEMBL341205 | 0.64 | LMNA (0.44) | — | |
| Hydrochloric Acid SCHEMBL12492172 | 0.64 | OPRD1 (0.41) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4353901-A | HYPERTENSION, CONGESTIVE HEART FAILURE, ARRHYTHMIAMIGRAINE, VASOSPASTIC DISORDERS, ASTHMA | SYNTEX (U.S.A.) INC. (US) | 1982-10-12 | — | — | US | disclosed |
| US-4353900-A | HYPOTENSIVE, ANTIARRHYTHMIA, CARDIOTONIC, VASODILATORS | SYNTEX (U.S.A.) INC. (US) | 1982-10-12 | — | — | US | disclosed |
| EP-0061333-A1 | 9-(2-(3-Indolyl)ethyl)-1-oxa-4,9-diazaspiro(5.5)undecan-3-ones | SYNTEX (U.S.A.) INC. (US) | 1982-09-29 | — | — | EP | disclosed |
| US-4332804-A | TREATMENT OF HYPERTENSION, CONGESTIVE HEART FAILURE, ARRHYTHMIA, MIGRAINE, VASOSPASTIC DISORDERS AND ASTHMA | SYNTEX (U.S.A.) INC. (US) | 1982-06-01 | — | — | US | disclosed |