⚠ 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 | |
|---|---|---|---|---|
| Isopropylamine SCHEMBL19810143 | 0.93 | LMNA (0.40) | — | |
| L-Alaninol SCHEMBL9680370 | 0.86 | — | — | |
| Isopropylamine SCHEMBL5724241 | 0.84 | — | — | |
| Isopropylamine SCHEMBL9686260 | 0.84 | TSHR (0.55) | — | |
| Butyl Alcohol SCHEMBL28099213 | 0.83 | — | — | |
| Alanine SCHEMBL28824465 | 0.81 | SLC7A5 (0.46) | — | |
| Propanol SCHEMBL9284016 | 0.80 | — | — | |
| Isopropyl Alcohol SCHEMBL10935224 | 0.80 | ALDH1A1 (0.50) | — | |
| Isopropyl Alcohol SCHEMBL467976 | 0.80 | — | — | |
| Isopropylamine SCHEMBL316025 | 0.79 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109563055-B | Aminopyrazine compound or salt, isomer, preparation method and application thereof | 成都苑东生物制药股份有限公司 | 2021-12-24 | — | — | CN | disclosed |
| CN-107540565-A | The preparation of N, N (two) alkyl amino alkyl (methyl) acrylamide or corresponding ester and its quaternary ammonium salt | 赢创罗姆有限公司 | 2018-01-05 | — | — | CN | disclosed |
| EP-3259267-A2 | NOVEL PROCESS FOR THE PREPARATION OF 1,3-THIAZOL-5-YLMETHYL [(2R,5R)-5-{[(2S)-2- [(METHYL{[2-(PROPAN-2-YL)- 1,3-THIAZOL-4-YL] METHYL} CARBAMOYL) AMINO] -4-(MORPHOLIN-4-YL)BUTANOYL]AMINO}-1,6-DIPHENYLHEXAN-2-YL] CARBAMATE | MSN Laboratories Private Limited (IN) | 2017-12-27 | — | — | EP | disclosed |
| WO-2016132378-A2 | NOVEL PROCESS FOR THE PREPARATION OF 1,3-THIAZOL-5-YLMETHYL [(2R,5R)-5-{[(2S)-2- [(METHYL{[2-(PROPAN-2-YL)- 1,3-THIAZOL-4-YL] METHYL} CARBAMOYL) AMINO] -4-(MORPHOLIN-4-YL)BUTANOYL]AMINO}-1,6-DIPHENYLHEXAN-2-YL] CARBAMATE | MSN LABORATORIES PRIVATE LIMITED (IN) | 2016-08-25 | — | — | WO | disclosed |
| EP-1002121-A1 | PROCESS FOR THE PRODUCTION OF L-ALAMINOL AND GAMMA-GLUTAMYL ISOPROPYLAMIDE AND A MICROORGANISM STRAIN FO THE GENUS PSENDOMONAS | LONZA A.G. (CH) | 2000-05-24 | — | — | EP | disclosed |
| WO-1999007199-A2 | METHOD FOR PRODUCING L-ALANINOL AND GAMMA-GLUTAMYL ISOPROPYLAMIDE AND A MICROBIAL STRAIN OF THE PSEUDOMONAS | LONZA AG (CH) | 1999-02-18 | — | — | WO | disclosed |