⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6990535 | 0.88 | — | — | |
| SCHEMBL25381783 | 0.60 | TLR4 (0.33) | — | |
| SCHEMBL5333757 | 0.58 | TLR4 (0.40) | — | |
| Benzoquinone SCHEMBL27703628 | 0.51 | ALDH1A1 (0.61) | — | |
| SCHEMBL12168346 | 0.51 | ALDH1A1 (0.50) | — | |
| Benzoquinone SCHEMBL29262432 | 0.51 | ALDH1A1 (0.61) | — | |
| SCHEMBL30915787 | 0.50 | — | — | |
| SCHEMBL19348395 | 0.50 | — | — | |
| SCHEMBL20332219 | 0.50 | — | — | |
| SCHEMBL1457363 | 0.49 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107011237-A | A kind of synthetic method of improved Molindone | 合肥立方制药股份有限公司 | 2017-08-04 | — | — | CN | claimed |
| CN-107011237-A | A kind of synthetic method of improved Molindone | 合肥立方制药股份有限公司 | 2017-08-04 | — | — | CN | disclosed |
| CN-107011237-A | A kind of synthetic method of improved Molindone | 合肥立方制药股份有限公司 | 2017-08-04 | — | — | CN | disclosed |
| EP-1715921-A4 | TETRAHYDROINDOLONE DERIVATIVES FOR TREATMENT OF NEUROLOGICAL CONDITIONS | ABRAXIS BIOSCIENCE INC (US) | 2009-07-15 | — | — | EP | disclosed |
| WO-2008020180-A2 | METHODS OF INCREASING THE SENSITIVITY OF CANCER CELLS TO DNA DAMAGE | KUDOS PHARMACEUTICALS LIMITED (GB) | 2008-02-21 | — | — | WO | disclosed |
| EP-1715921-A2 | TETRAHYDROINDOLONE DERIVATIVES FOR TREATMENT OF NEUROLOGICAL CONDITIONS | Cenomed, Inc. (US) | 2006-11-02 | — | — | EP | disclosed |
| EP-1684736-A1 | DNA DAMAGE REPAIR INHIBITORS FOR TREATMENT OF CANCER | Kudos Pharmaceuticals Limited (GB) | 2006-08-02 | — | — | EP | disclosed |
| WO-2005053662-A1 | DNA DAMAGE REPAIR INHIBITORS FOR TREATMENT OF CANCER | KUDOS PHARMACEUTICALS LIMITED (GB) | 2005-06-16 | — | — | WO | disclosed |
| WO-2005030148-A2 | TETRAHYDROINDOLONE DERIVATIVES FOR TREATMENT OF NEUROLOGICAL CONDITIONS | CENOMED, INC. (US) | 2005-04-07 | — | — | WO | disclosed |
| US-6395766-B1 | COGNITION ACTIVATORS | MERCK SHARP & DOHME LIMITED (GB) | 2002-05-28 | — | — | US | disclosed |
| WO-1999062899-A1 | TETRAHYDROINDOLONE DERIVATIVES AS GABAAALPHA5 LIGANDS FOR ENHANCING COGNITION | MERCK SHARP & DOHME LIMITED (GB) | 1999-12-09 | — | — | WO | disclosed |