⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11221605 | 0.80 | — | — | |
| SCHEMBL11227136 | 0.80 | HTR2A (0.31) | — | |
| SCHEMBL11238152 | 0.80 | — | — | |
| SCHEMBL11231811 | 0.69 | NEK2 (0.32) | — | |
| SCHEMBL11289006 | 0.68 | LMNA (0.39) | — | |
| SCHEMBL11235916 | 0.68 | GAA (0.33) | — | |
| SCHEMBL737906 | 0.66 | SIGMAR1 (0.49) | — | |
| SCHEMBL11231286 | 0.62 | — | — | |
| SCHEMBL11224105 | 0.62 | NEK2 (0.33) | — | |
| SCHEMBL9858652 | 0.61 | — | — |
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 |