⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL45956 | 1.00 | — | — | |
| SCHEMBL3412400 | 1.00 | — | — | |
| Methylcyclopentane SCHEMBL23140669 | 0.89 | CYP2D6 (0.38) | — | |
| SCHEMBL1929074 | 0.87 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL16047834 | 0.82 | CYP1A2 (0.35) | — | |
| SCHEMBL10274555 | 0.79 | CYP3A4 (0.38) | — | |
| SCHEMBL14678439 | 0.78 | TSHR (0.45) | — | |
| SCHEMBL11867631 | 0.76 | — | — | |
| SCHEMBL14284271 | 0.75 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL13932363 | 0.74 | CHRM5 (0.36) | — |
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 84 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4305876-A | CULTURE PRODUCT INTERMEDIATE IN THE PREPARATION OF VITAMINS E AND K | HOFFMANN-LA ROCHE, INC. (US) | 1981-12-15 | — | — | US | claimed |
| US-11760753-B2 | Benzoxazepin oxazolidinone compounds and methods of use | GENENTECH, INC. (US) | 2023-09-19 | — | — | US | disclosed |
| EP-2488028-B1 | SUBSTITUTED PIPERIDINES THAT INCREASE P53 ACTIVITY AND THE USES THEREOF | MERCK SHARP & DOHME (US) | 2020-08-19 | — | — | EP | disclosed |
| EP-2488028-B1 | SUBSTITUTED PIPERIDINES THAT INCREASE P53 ACTIVITY AND THE USES THEREOF | MERCK SHARP & DOHME (US) | 2020-08-19 | — | — | EP | disclosed |
| CN-104945382-B | Substituted piperidines that increase p53 activity and uses thereof | 默沙东公司 | 2020-02-07 | — | — | CN | disclosed |
| EP-2933246-B1 | VERSATILE AND FUNCTIONALISED INTERMEDIATES FOR THE SYNTHESIS OF VITAMIN D AND NOVEL VITAMIN D DERIVATIVES | ENDOTHERM GMBH (DE) | 2020-01-08 | — | — | EP | disclosed |
| EP-2255250-B1 | POSITIVE RESIST COMPOSITION | FUJIFILM CORP (JP) | 2019-03-13 | — | — | EP | disclosed |
| US-9994508-B2 | Versatile and functionalised intermediates for the synthesis of vitamin D and novel vitamin D derivatives | ENDOTHERM GMBH (DE) | 2018-06-12 | — | — | US | disclosed |
| US-20180127404-A1 | BENZOXAZEPIN OXAZOLIDINONE COMPOUNDS AND METHODS OF USE | GENENTECH, INC. (US) | 2018-05-10 | — | — | US | disclosed |
| US-9951163-B2 | (Meth)acrylate compound, (meth)acrylic copolymer and photosensitive resin composition containing same | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2018-04-24 | — | — | US | disclosed |
| WO-2004017961-A2 | DERIVATIVES OF 3-HYDROXY-4-(CYCLYL-ALKYLAMINOALKYL)-5-PHENYL-1H-PYRAZOLE AS ANTAGONISTS OF THE GONADOTROPIN RELEASING HORMONE (GNRH) FOR USE IN THE TREATMENT OF SEX HORMONE RELATED CONDITIONS, SUCH AS PROSTATIC OF UTERINE CANCER | ASTRAZENECA AB (SE) | 2004-03-04 | — | — | WO | disclosed |
| EP-0900792-B1 | Piperazine and piperidine derivatives as 5-HT1A and dopamine D2-receptor (ant)agonists | DUPHAR INT RES (NL) | 2003-10-29 | — | — | EP | disclosed |
| EP-1133484-A2 | HETEROCYCLIC DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS | AstraZeneca AB (SE) | 2001-09-19 | — | — | EP | disclosed |
| US-6214829-B1 | NERVOUS SYSTEM, PSYCHOLOGICAL DISORDERS | DUPHAR INTERNATIONAL RESEARCH B.V. (NL) | 2001-04-10 | — | — | US | disclosed |
| WO-2000005223-A2 | HETEROCYCLIC DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS | ASTRAZENECA AB (SE) | 2000-02-03 | — | — | WO | disclosed |
| EP-0900792-A1 | Piperazine and piperidine derivatives as 5-HT1 receptor agonists | DUPHAR INTERNATIONAL RESEARCH B.V (NL) | 1999-03-10 | — | — | EP | disclosed |
| US-5719141-A | HYPOTENSIVE AGENTS | NOVARTIS CORPORATION (US) | 1998-02-17 | — | — | US | disclosed |
| CN-1169986-A | 2.9-diamino-and 2-amino-8-carbamoyl-4-hydroxy-aldanoic acid amide derivatives | CIBA GEIGY AG (CH) | 1998-01-14 | — | — | CN | disclosed |
| US-4305876-A | CULTURE PRODUCT INTERMEDIATE IN THE PREPARATION OF VITAMINS E AND K | HOFFMANN-LA ROCHE, INC. (US) | 1981-12-15 | — | — | US | disclosed |
| US-4138289-A | ASYMMETRIC HYDROGENATION BY MICROORGANISM, FERMENTATION | HOFFMANN-LA ROCHE INC. (US) | 1979-02-06 | — | — | US | disclosed |