⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14602987 | 0.83 | LTC4S (0.32) | — | |
| SCHEMBL5132636 | 0.80 | MDM2 (0.30) | — | |
| SCHEMBL5046092 | 0.80 | CETP (0.41) | — | |
| SCHEMBL14472847 | 0.77 | LTC4S (0.32) | — | |
| SCHEMBL5046713 | 0.74 | TACR1 (0.42) | — | |
| SCHEMBL1600725 | 0.73 | SLC6A4 (0.37) | — | |
| SCHEMBL14602942 | 0.70 | — | — | |
| SCHEMBL14602923 | 0.69 | S1PR1 (0.32) | — | |
| SCHEMBL5047745 | 0.69 | CETP (0.43) | — | |
| SCHEMBL5623738 | 0.68 | CXCR4 (0.32) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9765030-B2 | Benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors | DR. REDDY'S LABORATORIES LTD. (IN) | 2017-09-19 | — | — | US | disclosed |
| EP-1981342-B1 | SELECTIVE BENZYLAMINE DERIVATIVES AND THEIR UTILITY AS CHOLESTEROL ESTER-TRANSFER PROTEIN INHIBITORS | REDDYS LAB LTD DR (IN) | 2016-11-30 | — | — | EP | disclosed |
| US-20140134235-A1 | NOVEL BENZYLAMINE DERIVATIVES AND THEIR UTILITY AS CHOLESTEROL ESTER-TRANSFER PROTEIN INHIBITORS | DR. REDDY'S LABORATORIES LTD. (IN) | 2014-05-15 | — | — | US | disclosed |
| US-8604055-B2 | Substituted benzylamino quinolines as cholesterol ester-transfer protein inhibitors | DR. REDDY'S LABORATORIES LTD. (IN) | 2013-12-10 | — | — | US | disclosed |
| EP-1981342-A1 | SELECTIVE BENZYLAMINE DERIVATIVES AND THEIR UTILITY AS CHOLESTEROL ESTER-TRANSFER PROTEIN INHIBITORS | Reddy US Therapeutics, Inc. (US) | 2008-10-22 | — | — | EP | disclosed |
| WO-2007075194-A1 | SELECTIVE BENZYLAMINE DERIVATIVES AND THEIR UTILITY AS CHOLESTEROL ESTER-TRANSFER PROTEIN INHIBITORS | REDDY US THERAPEUTICS, INC. (US) | 2007-07-05 | — | — | WO | disclosed |
| US-20070015758-A1 | Novel benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors | DR. REDDY'S LABORATORIES LTD. (IN) | 2007-01-18 | — | — | US | disclosed |