⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19263973 | 0.88 | CHRNB2 (0.39) | — | |
| SCHEMBL12208473 | 0.86 | CHRNB2 (0.38) | — | |
| SCHEMBL7992425 | 0.82 | — | — | |
| SCHEMBL971678 | 0.80 | — | — | |
| SCHEMBL459030 | 0.80 | — | — | |
| SCHEMBL19270187 | 0.79 | CHRNB2 (0.46) | — | |
| SCHEMBL10716927 | 0.78 | — | — | |
| SCHEMBL9426663 | 0.78 | — | — | |
| SCHEMBL19270289 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL10808909 | 0.78 | CHRNB2 (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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3416612-B1 | FRAGRANT MIXTURES CONTAINING ESTERS AND KETONES | SYMRISE AG (DE) | 2022-12-28 | — | — | EP | claimed |
| CN-109069378-B | Perfume mixture containing ester and ketone | 西姆莱斯股份公司 | 2022-10-11 | — | — | CN | claimed |
| US-11424006-B2 | Targeted drugs associated with trimethylamine and/or trimeihylamine-n-oxide | PSOMAGEN, INC. (US) | 2022-08-23 | — | — | US | claimed |
| US-20210128498-A1 | TARGETED DRUGS ASSOCIATED WITH TRIMETHYLAMINE AND/OR TRIMETHYLAMINE-N-OXIDE | MACROGEN INC. (KR) | 2021-05-06 | — | — | US | claimed |
| CN-111163761-A | Targeted drugs related to trimethylamine and/or trimethylamine-N-oxide | 普梭梅根公司 | 2020-05-15 | — | — | CN | claimed |
| US-20190136148-A1 | FRAGRANT MIXTURES CONTAINING ESTERS AND KETONES | SYMRISE AG (DE) | 2019-05-09 | — | — | US | claimed |
| US-20190050525-A1 | RIESKE-TYPE OXYGENASE/REDUCTASE TARGETED DRUGS FOR DIAGNOSTIC AND TREATMENT OF DISEASES | PSOMAGEN, INC. | 2019-02-14 | — | — | US | claimed |
| EP-3416612-A1 | FRAGRANT MIXTURES CONTAINING ESTERS AND KETONES | Symrise AG (DE) | 2018-12-26 | — | — | EP | claimed |
| WO-2017140336-A1 | FRAGRANT MIXTURES CONTAINING ESTERS AND KETONES | SYMRISE AG (DE) | 2017-08-24 | — | — | WO | claimed |
| EP-3416612-B1 | FRAGRANT MIXTURES CONTAINING ESTERS AND KETONES | SYMRISE AG (DE) | 2022-12-28 | — | — | EP | disclosed |
| EP-3416612-B1 | FRAGRANT MIXTURES CONTAINING ESTERS AND KETONES | SYMRISE AG (DE) | 2022-12-28 | — | — | EP | disclosed |
| CN-109069378-B | Perfume mixture containing ester and ketone | 西姆莱斯股份公司 | 2022-10-11 | — | — | CN | disclosed |
| US-11424006-B2 | Targeted drugs associated with trimethylamine and/or trimeihylamine-n-oxide | PSOMAGEN, INC. (US) | 2022-08-23 | — | — | US | disclosed |
| US-20210128498-A1 | TARGETED DRUGS ASSOCIATED WITH TRIMETHYLAMINE AND/OR TRIMETHYLAMINE-N-OXIDE | MACROGEN INC. (KR) | 2021-05-06 | — | — | US | disclosed |
| US-20110136823-A1 | COMPOUNDS HAVING A POTENTIATING EFFECT ON THE ACTIVITY OF ETHIONAMIDE AND USES THEREOF | INSTITUT PASTEUR DE LILLE (FR) | 2011-06-09 | — | — | US | disclosed |
| US-20110136823-A1 | COMPOUNDS HAVING A POTENTIATING EFFECT ON THE ACTIVITY OF ETHIONAMIDE AND USES THEREOF | INSTITUT PASTEUR DE LILLE (FR) | 2011-06-09 | — | — | US | disclosed |
| US-7771935-B2 | Evolving new molecular function | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2010-08-10 | — | — | US | disclosed |
| US-7491494-B2 | Evolving new molecular function | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2009-02-17 | — | — | US | disclosed |
| WO-2008003861-A1 | COMPOUNDS HAVING A POTENTIATING EFFECT ON THE ACTIVITY OF ETHIONAMIDE AND USES THEREOF | INSTITUT PASTEUR DE LILLE (FR) | 2008-01-10 | — | — | WO | disclosed |
| US-3948903-A | Substituted N-(1,2-dihydro-2-oxonicotinyl)-cephalexins and -cephaloglycins | PARKE, DAVIS & COMPANY (US) | 1976-04-06 | — | — | US | disclosed |