⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL631537 | 0.86 | MAOA (0.42) | — | |
| SCHEMBL12483381 | 0.86 | NOS3 (0.41) | — | |
| SCHEMBL8936321 | 0.83 | CES1 (0.48) | — | |
| SCHEMBL15763737 | 0.82 | NOS3 (0.52) | — | |
| SCHEMBL9404977 | 0.80 | — | — | |
| SCHEMBL12160894 | 0.75 | NOS3 (0.47) | — | |
| SCHEMBL13266265 | 0.73 | DRD1 (0.50) | — | |
| SCHEMBL13315851 | 0.73 | KMT2A (0.40) | — | |
| SCHEMBL10263479 | 0.71 | — | — | |
| SCHEMBL13845108 | 0.71 | — | — |
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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0347378-A1 | Imidazole derivatives | CIBA-GEIGY AG (CH) | 1989-12-20 | — | — | EP | claimed |
| CN-115960109-B | Preparation and application of condensed ring SHP2 phosphatase inhibitor | 药雅科技(上海)有限公司 | 2024-06-25 | — | — | CN | disclosed |
| CN-115960109-A | Preparation and application of fused-ring SHP2 phosphatase inhibitor | 药雅科技(上海)有限公司 | 2023-04-14 | — | — | CN | disclosed |
| US-20230069174-A1 | NITROGEN-CONTAINING HETEROCYCLIC AUTOTAXIN INHIBITOR, AND COMPOSITION CONTAINING SAME AND USE THEREOF | SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) | 2023-03-02 | — | — | US | disclosed |
| WO-2021115375-A1 | NITROGEN-CONTAINING HETEROCYCLIC AUTOTAXIN INHIBITOR, AND COMPOSITION CONTAINING SAME AND USE THEREOF | 四川海思科制药有限公司 | 2021-06-17 | — | — | WO | disclosed |
| CN-111836807-A | Oxaspiro compounds, preparation method and application thereof | 四川科伦博泰生物医药股份有限公司 | 2020-10-27 | — | — | CN | disclosed |
| US-20180193315-A1 | SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE | ABBVIE INC (US) | 2018-07-12 | — | — | US | disclosed |
| US-20180071262-A1 | SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE | ABBVIE INC. (US) | 2018-03-15 | — | — | US | disclosed |
| US-9711728-B1 | Fused thiophene-based conjugated polymers and their use in optoelectronic devices | NORTHWESTERN UNIVERSITY (US) | 2017-07-18 | — | — | US | disclosed |
| US-9711728-B1 | Fused thiophene-based conjugated polymers and their use in optoelectronic devices | NORTHWESTERN UNIVERSITY (US) | 2017-07-18 | — | — | US | disclosed |
| EP-2029610-A2 | NOVEL MCH RECEPTOR ANTAGONISTS | Eli Lilly & Company (US) | 2009-03-04 | — | — | EP | disclosed |
| EP-2029609-A2 | NOVEL MCH RECEPTOR ANTAGONISTS | Eli Lilly & Company (US) | 2009-03-04 | — | — | EP | disclosed |
| WO-2007146758-A2 | NOVEL MCH RECEPTOR ANTAGONISTS | ELI LILLY AND COMPANY (US) | 2007-12-21 | — | — | WO | disclosed |
| WO-2007146759-A2 | NOVEL MCH RECEPTOR ANTAGONISTS | ELI LILLY AND COMPANY (US) | 2007-12-21 | — | — | WO | disclosed |
| EP-0400916-B1 | 4,5,6,11-Tetrahydrobenzo [6,7]-cycloocta[1,2-b]thiophen-6,11-imines and 6,11-dihydrobenzo[6,7]-cycloocta[1,2-b]thiophen-6,11 imines | PFIZER (US) | 1994-11-09 | — | — | EP | disclosed |
| US-5260309-A | 4,5,6,11-tetrahydrobenzo [6,7] cycloocta [1,2-b]thiophen-6,11-imines and 6,11-dihydrobenzo [6,7] cycloocta [1,2-b] thiophen-6,11-imines | PFIZER INC. (US) | 1993-11-09 | — | — | US | disclosed |
| WO-1990015060-A1 | 4,5,6,11-TETRAHYDROBENZO[6,7]CYCLOOCTA[1,2-b]THIOPHEN-6,11-IMINES AND 6,11-DIHYDROBENZO[6,7]CYCLOOCTA[1,2-b]THIOPHEN-6,11-IMINES | PFIZER INC. (US) | 1990-12-13 | — | — | WO | disclosed |
| EP-0400916-A2 | 4,5,6,11-Tetrahydrobenzo [6,7]-cycloocta[1,2-b]thiophen-6,11-imines and 6,11-dihydrobenzo[6,7]-cycloocta[1,2-b]thiophen-6,11 imines | PFIZER INC. (US) | 1990-12-05 | — | — | EP | disclosed |
| US-4156000-A | ANALGESICS, ANTIINFLAMMATORY AGENTS | HEXACHIMIE (FR) | 1979-05-22 | — | — | US | disclosed |
| US-4122091-A | ANALGESIC, ANTIINFLAMMATORY | HEXACHIMIE (FR) | 1978-10-24 | — | — | US | disclosed |