⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9558848 | 0.81 | TPI1 (0.46) | — | |
| SCHEMBL28024012 | 0.76 | TSHR (0.54) | — | |
| SCHEMBL11364338 | 0.74 | FDPS (0.42) | — | |
| SCHEMBL17525204 | 0.73 | LMNA (0.39) | — | |
| SCHEMBL13022683 | 0.72 | — | — | |
| SCHEMBL27815438 | 0.72 | — | — | |
| SCHEMBL10060469 | 0.71 | ALDH1A1 (0.30) | — | |
| SCHEMBL27748285 | 0.70 | CA1 (0.40) | — | |
| SCHEMBL800638 | 0.69 | — | — | |
| SCHEMBL6362087 | 0.68 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101484428-B | Alkyl-pyridazine derivatives as inhibitors of 11 beta hydroxysteroid dehydrogenase type 1(11b-HSD 1) | HOFFMANN LA ROCHE | 2011-11-16 | — | — | CN | disclosed |
| CN-101484428-A | Alkyl-pyridazine derivatives as inhibitors of 11 beta hydroxysteroid dehydrogenase type 1(11b-HSD 1) | HOFFMANN LA ROCHE (CH) | 2009-07-15 | — | — | CN | disclosed |
| US-4328240-A | PROSTAGLANDINS | FARMITALIA CARLO ERBA S.P.A. (IT) | 1982-05-04 | — | — | US | disclosed |
| US-4303670-A | Bicyclic prostaglandins and process for their preparation | FARMITALIA CARLO ERBA (IT) | 1981-12-01 | — | — | US | disclosed |
| US-4297368-A | PROSTAGLANDINS; HYPOTENSIVE AGENTS, OXYTOCICS ETC. | FARMITALIA CARLO ERBA S.P.A. (IT) | 1981-10-27 | — | — | US | disclosed |
| US-4277491-A | HYPOTENSIVE, VASODILATORY, ANTI-AGGREGATING, LUTEOLYTIC, CYTOPROTECTIVE | FARMITALIA CARLO ERBA, S.P.A. (IT) | 1981-07-07 | — | — | US | disclosed |
| US-4271183-A | HYPOTENSIVES, VASODILATORS, ANTICOAGULANTS, ANTISECRETORY, BRONCHODILATORS, ANTIASTHMATICS, LUTEOLYTICS, OXYTOCICS | FARMITALIA CARLO ERBA S.P.A. (IT) | 1981-06-02 | — | — | US | disclosed |
| US-4262016-A | HYPOTENSIVE, VASODILATORY, ANTI-THROMBOTIC | FARMITALIA CARLO ERBA S.P.A. (IT) | 1981-04-14 | — | — | US | disclosed |
| US-4254137-A | Bicyclic prostaglandins and process for their preparation | FARMITALIA CARLO ERBA S.P.A. (IT) | 1981-03-03 | — | — | US | disclosed |