⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4753898 | 1.00 | — | — | |
| SCHEMBL4756993 | 1.00 | — | — | |
| SCHEMBL6113201 | 0.84 | — | — | |
| SCHEMBL6972048 | 0.82 | — | — | |
| SCHEMBL29890200 | 0.82 | — | — | |
| SCHEMBL23563389 | 0.82 | — | — | |
| SCHEMBL6275404 | 0.82 | — | — | |
| SCHEMBL14298584 | 0.79 | — | — | |
| SCHEMBL16021047 | 0.79 | — | — | |
| SCHEMBL25247964 | 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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4599435-A | Preparation of 6-carboxy-3,4-dihydro-2H-pyran | ETHYL CORPORATION (US) | 1986-07-08 | — | — | US | claimed |
| US-20160355475-A1 | NOVEL INDOLE DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | CHONG KUN DANG PHARMACEUTICAL CORP. (KR) | 2016-12-08 | — | — | US | disclosed |
| WO-2015069760-A1 | BISCATIONIC AND TRISCATIONIC AMPHILES AS ANTIMICROBIAL AGENTS | TEMPLE UNIVERSITY OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) | 2015-05-14 | — | — | WO | disclosed |
| US-20150045328-A1 | DISUBSTITUTED ARYL OXY DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS | ALLERGAN, INC. | 2015-02-12 | — | — | US | disclosed |
| WO-2013102195-A1 | COMPOSITIONS, SYNTHESIS, AND METHODS OF USING PHENYLCYCLOALKYLMETHYLAMINE DERIVATIVES | REVIVA PHARMACEUTICALS, INC. (US) | 2013-07-04 | — | — | WO | disclosed |
| WO-2008155619-A2 | PREPARATION OF OPTICALLY-ACTIVE CYCLIC AMINO ACIDS | PFIZER INC. (US) | 2008-12-24 | — | — | WO | disclosed |
| EP-1081127-B1 | NOVEL PROCESS FOR THE PREPARATION OF N,N'-DIALKYLALKANEDIAMINES | MITSUI CHEMICALS INC (JP) | 2005-12-28 | — | — | EP | disclosed |
| US-6242651-B1 | IN A HIGH YIELD BY REACTING DIHALOALKANE WITH ALKYLAMINE WHILE INHIBITING FORMATION OF UNFAVORABLE BY-PRODUCTS SUCH AS CYCLIC DIALKYLDIAMINE AND TRIALKYLALKANETRIAMINE | MITSUI CHEMICALS, INC. (JP) | 2001-06-05 | — | — | US | disclosed |
| EP-1081127-A1 | NOVEL PROCESS FOR THE PREPARATION OF N,N'-DIALKYLALKANEDIAMINES | Mitsui Chemicals, Inc. (JP) | 2001-03-07 | — | — | EP | disclosed |
| EP-0159993-A4 | PREPARATION OF 6-CARBOXY-3,4-DIHYDRO-2H-PYRAN. | ETHYL CORP (US) | 1987-01-20 | — | — | EP | disclosed |
| US-4599435-A | Preparation of 6-carboxy-3,4-dihydro-2H-pyran | ETHYL CORPORATION (US) | 1986-07-08 | — | — | US | disclosed |
| EP-0159993-A1 | PREPARATION OF 6-CARBOXY-3,4-DIHYDRO-2H-PYRAN | ETHYL CORPORATION (US) | 1985-11-06 | — | — | EP | disclosed |
| WO-1985001731-A1 | PREPARATION OF 6-CARBOXY-3,4-DIHYDRO-2H-PYRAN | ETHYL CORPORATION (US) | 1985-04-25 | — | — | WO | disclosed |
| US-4277608-A | Method of preparing 4a-arylhexahydro-1H-2-pyrindines and 4a-aryloctahydroisoquinolines | ELI LILLY AND COMPANY (US) | 1981-07-07 | — | — | US | disclosed |
| US-4236009-A | Method of preparing 4A-arylhexahydro-1H-2-pyrindines and 4A-aryloctahydroisoquinolines | ELI LILLY AND COMPANY (US) | 1980-11-25 | — | — | US | disclosed |