⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL467116 | 1.00 | — | — | |
| SCHEMBL8018826 | 0.73 | — | — | |
| SCHEMBL15415496 | 0.67 | SLC6A2 (0.31) | — | |
| SCHEMBL13091452 | 0.65 | ITGB2 (0.41) | — | |
| SCHEMBL29990871 | 0.65 | ITGB2 (0.41) | — | |
| SCHEMBL659729 | 0.60 | — | — | |
| SCHEMBL15015718 | 0.58 | — | — | |
| SCHEMBL18278887 | 0.56 | — | — | |
| SCHEMBL2045430 | 0.56 | — | — | |
| SCHEMBL10747631 | 0.56 | — | — |
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 398 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114302884-B | Substituted pyridopyrimidinone compounds useful as T cell activators | 百时美施贵宝公司 | 2024-06-04 | — | — | CN | claimed |
| EP-3766882-B1 | PHTHALAZINE ISOXAZOLE ALKOXY DERIVATIVES, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND USE THEREOF | SHANGHAI SIMR BIOTECHNOLOGY CO LTD (CN) | 2023-08-23 | — | — | EP | claimed |
| CN-116547282-A | Heterocyclic compounds and their use for the treatment of helminth infections and diseases | 新基公司 | 2023-08-04 | — | — | CN | claimed |
| CN-110256440-B | Phthalazine isoxazole alkoxy derivative, preparation method, pharmaceutical composition and application thereof | 上海赛默罗生物科技有限公司 | 2023-05-23 | — | — | CN | claimed |
| CN-115243721-A | Combination of DGK inhibitors and checkpoint antagonists | 百时美施贵宝公司 | 2022-10-25 | — | — | CN | claimed |
| CN-108884029-B | LSD1 inhibitors | 米拉蒂医疗股份有限公司 | 2021-10-26 | — | — | CN | claimed |
| CN-109311880-B | Novel tetrahydropyridopyrimidines for the treatment and prophylaxis of hepatitis B virus infections | 豪夫迈·罗氏有限公司 | 2021-09-03 | — | — | CN | claimed |
| EP-3766882-A1 | PHTHALAZINE ISOXAZOLE ALKOXY DERIVATIVES, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND USE THEREOF | Shanghai Simr Biotechnology Co., Ltd. (CN) | 2021-01-20 | — | — | EP | claimed |
| US-20210009598-A1 | PHTHALAZINE ISOXAZOLE ALKOXY DERIVATIVES, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND USE THEREOF | Shanghai SIMRD Biotechnology Co., Ltd (CN) | 2021-01-14 | — | — | US | claimed |
| CN-111989321-A | KRAS G12C inhibitors | 米拉蒂治疗股份有限公司 | 2020-11-24 | — | — | CN | claimed |
| EP-1945219-A2 | COMPOUND | Cyclacel Limited (GB) | 2008-07-23 | — | — | EP | claimed |
| WO-2007042786-A2 | 4 -HETEROARYL PYRIMIDINE DERIVATIVES AND USE THEREOF AS PROTEIN KINASE INHIBITORS | CYCLACEL LIMITED (GB) | 2007-04-19 | — | — | WO | claimed |
| US-20070010511-A1 | Organic compounds | NOVARTIS PHARMA AG (CH) | 2007-01-11 | — | — | US | claimed |
| EP-0805152-B1 | Cyclic amine substituted phenyl-alkyl-ketone and process for its preparation | CIBA SC HOLDING AG (CH) | 2005-06-08 | — | — | EP | claimed |
| EP-0866785-A1 | DIARYL ACETYLENE KETONES | BAYER AG (DE) | 1998-09-30 | — | — | EP | claimed |
| US-5814629-A | FUNGICIDES, BACTERICIDES AND VIRICIDES OF PLANTS | NOVARTIS FINANCE CORPORATION (US) | 1998-09-29 | — | — | US | claimed |
| US-5674864-A | ANALGESICS; ENDOPEPTIDASE AND ENKEPHALINASE INHIBITORS; CARDIOTONIC, PSYCHOTROPIC AND HYPERTENSIVE AGENTS | ROUSSEL UCLAF (FR) | 1997-10-07 | — | — | US | claimed |
| WO-1997021658-A1 | DIARYL ACETYLENE KETONES | BAYER AKTIENGESELLSCHAFT (DE) | 1997-06-19 | — | — | WO | claimed |
| EP-0465369-B1 | N-substituted derivatives of alpha-mercapto alkylamines, process for their preparation and intermediates obtained, their use as medicaments and compositions containing them | ROUSSEL UCLAF (FR) | 1994-04-13 | — | — | EP | claimed |
| EP-0465369-A1 | N-substituted derivatives of alpha-mercapto alkylamines, process for their preparation and intermediates obtained, their use as medicaments and compositions containing them | ROUSSEL-UCLAF (FR) | 1992-01-08 | — | — | EP | claimed |