⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11573864 | 0.75 | — | — | |
| SCHEMBL12073 | 0.73 | — | — | |
| SCHEMBL5216581 | 0.73 | — | — | |
| SCHEMBL9868411 | 0.73 | ALDH1A1 (0.38) | — | |
| SCHEMBL4962965 | 0.73 | ALDH1A1 (0.53) | — | |
| SCHEMBL3844294 | 0.73 | — | — | |
| SCHEMBL28011585 | 0.72 | SLC22A6 (0.30) | — | |
| SCHEMBL27946985 | 0.71 | — | — | |
| SCHEMBL3506045 | 0.71 | — | — | |
| SCHEMBL7922336 | 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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116199659-A | Preparation method of 4, 4-difluoro-3, 4-dihydrocoumarin compound | 山东金吉利新材料有限公司 | 2023-06-02 | — | — | CN | disclosed |
| CN-116082290-A | Preparation method of high-purity 4- [ (fluoroalkyl acyloxy) methyl ] -1, 3-dioxacycloalkyl-2-ketone | 浙江蓝天环保高科技股份有限公司 | 2023-05-09 | — | — | CN | disclosed |
| EP-2848617-B1 | DIARYL[A, G]QUINOLIZIDINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USES THEREOF | SHANGHAI INST MATERIA MEDICA CAS (CN) | 2022-01-12 | — | — | EP | disclosed |
| US-9969716-B2 | Indole derivatives as modulators of methyl modifying enzymes, compositions and uses thereof | CONSTELLATION PHARMACEUTICALS, INC. (US) | 2018-05-15 | — | — | US | disclosed |
| CN-103387583-B | Diaryl simultaneously [a, g] quinolizine class compound, its preparation method, pharmaceutical composition and its application | 中国科学院上海药物研究所 | 2018-04-13 | — | — | CN | disclosed |
| US-9751882-B2 | Diaryl[A, G]quinolizidine compound, preparation method therefor, pharmaceutical composition, and uses thereof | KINGSOUND & PARTNER (CN) | 2017-09-05 | — | — | US | disclosed |
| US-20160185757-A1 | INDOLE DERIVATIVES AS MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF | CONSTELLATION PHARMACEUTICALS, INC. (US) | 2016-06-30 | — | — | US | disclosed |
| EP-3033334-A1 | INDOLE DERIVATIVES AS MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF | Constellation Pharmaceuticals, Inc. (US) | 2016-06-22 | — | — | EP | disclosed |
| US-20150141419-A1 | DIARYL[A, G]QUINOLIZIDINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USES THEREOF | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) | 2015-05-21 | — | — | US | disclosed |
| EP-2848617-A1 | DIARYL[A, G]QUINOLIZIDINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USES THEREOF | Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) | 2015-03-18 | — | — | EP | disclosed |
| WO-2015023915-A1 | INDOLE DERIVATIVES AS MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF | CONSTELLATION PHARMACEUTICALS, INC. (US) | 2015-02-19 | — | — | WO | disclosed |
| CN-103508994-A | Photoacid generators, photoresists comprising same, and coated articles comprising same | ROHM & HAAS ELECT MAT | 2014-01-15 | — | — | CN | disclosed |
| CN-103387583-A | Diaryl [a, g] quinolizidine compound, preparation method thereof, pharmaceutical composition, and uses thereof | SHANGHAI INST MATERIA MEDICA | 2013-11-13 | — | — | CN | disclosed |
| CN-1141029-A | 2-fluoroacrylate polymers and their use as optical materials | MINNESOTA MINING & MFG (US) | 1997-01-22 | — | — | CN | disclosed |