⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL500058 | 1.00 | — | — | |
| SCHEMBL9614878 | 0.88 | — | — | |
| SCHEMBL3336631 | 0.86 | ALDH1A1 (0.35) | — | |
| SCHEMBL3336627 | 0.86 | ALDH1A1 (0.35) | — | |
| SCHEMBL7938678 | 0.69 | — | — | |
| SCHEMBL6678622 | 0.69 | — | — | |
| SCHEMBL6678620 | 0.69 | — | — | |
| SCHEMBL1789880 | 0.69 | UGT2B7 (0.32) | — | |
| SCHEMBL13746876 | 0.69 | — | — | |
| SCHEMBL19310592 | 0.69 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-3271242-A | — | — | None | — | — | JP | disclosed |
| EP-3318562-A2 | BENZYLBENZENE DERIVATIVES AND METHODS OF USE | Theracos Sub, LLC (US) | 2018-05-09 | — | — | EP | disclosed |
| US-8802637-B2 | Benzylbenzene derivatives and methods of use | THERACOS, INC. (US) | 2014-08-12 | — | — | US | disclosed |
| US-20140031300-A1 | BENZYLBENZENE DERIVATIVES AND METHODS OF USE | THERACOS, INC. (US) | 2014-01-30 | — | — | US | disclosed |
| US-8575321-B2 | Benzylbenzene derivatives and methods of use | THERACOS, INC. (US) | 2013-11-05 | — | — | US | disclosed |
| US-20120329732-A1 | BENZYLBENZENE DERIVATIVES AND METHODS OF USE | THERACOS, INC. (US) | 2012-12-27 | — | — | US | disclosed |
| US-8106021-B2 | Benzylbenzene derivatives and methods of use | THERACOS, INC. (US) | 2012-01-31 | — | — | US | disclosed |
| US-20110207661-A1 | BENZYLBENZENE DERIVATIVES AND METHODS OF USE | THERACOS, INC. (US) | 2011-08-25 | — | — | US | disclosed |
| US-7838499-B2 | Benzylbenzene derivatives and methods of use | THERACOS, INC. (US) | 2010-11-23 | — | — | US | disclosed |
| EP-2187742-A1 | BENZYLBENZENE DERIVATIVES AND METHODS OF USE | Theracos, Inc. (US) | 2010-05-26 | — | — | EP | disclosed |
| US-20090118201-A1 | BENZYLBENZENE DERIVATIVES AND METHODS OF USE | THERACOSBIO, LLC | 2009-05-07 | — | — | US | disclosed |
| WO-2009026537-A1 | BENZYLBENZENE DERIVATIVES AND METHODS OF USE | THERACOS, INC. (US) | 2009-02-26 | — | — | WO | disclosed |
| JP-H03271242-A | CYCLOPROPYLALLYLBENZENES | CHISSO CORP | 1991-12-03 | — | — | JP | disclosed |