⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL752776 | 0.75 | — | — | |
| SCHEMBL21654009 | 0.75 | — | — | |
| SCHEMBL29362618 | 0.70 | TTR (0.57) | — | |
| SCHEMBL27791784 | 0.70 | KMT2A (0.50) | — | |
| SCHEMBL17988358 | 0.70 | MAPT (0.39) | — | |
| SCHEMBL3971296 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL7891832 | 0.67 | ALDH1A1 (0.46) | — | |
| SCHEMBL21654307 | 0.67 | — | — | |
| SCHEMBL18873562 | 0.67 | GPR55 (0.35) | — | |
| SCHEMBL11863678 | 0.65 | CA1 (0.52) | — |
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-7582712-B1 | Alpha-olefins polymerization catalyst | FORMOSA PLASTICS CORPORATION, U.S.A. (US) | 2009-09-01 | — | — | US | claimed |
| WO-2017109858-A1 | CONDENSED 11-MEMBERED RING COMPOUND, AND AGRICULTURAL AND HORTICULTURAL GERMICIDE INCLUDING SAME | 株式会社エス・ディー・エス バイオテック | 2017-06-29 | — | — | WO | disclosed |
| EP-2582769-B1 | ORGANIC ELECTRONIC DEVICES COMPRISING A LAYER OF A DIBENZOFURANE COMPOUND AND A 8-HYDROXYQUINOLINOLATO EARTH ALKALINE METAL, OR ALKALI METAL COMPLEX | BASF SE (DE) | 2014-11-19 | — | — | EP | disclosed |
| US-20140107166-A1 | HISTONE DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2014-04-17 | — | — | US | disclosed |
| US-7582712-B1 | Alpha-olefins polymerization catalyst | FORMOSA PLASTICS CORPORATION, U.S.A. (US) | 2009-09-01 | — | — | US | disclosed |
| EP-2027101-A1 | TRISUBSTITUTED FURAN DERIVATIVES AS FRAGRANCES AND AROMA SUBSTANCES | Symrise GmbH & Co. KG (DE) | 2009-02-25 | — | — | EP | disclosed |
| WO-2007131834-A1 | TRISUBSTITUTED FURAN DERIVATIVES AS FRAGRANCES AND AROMA SUBSTANCES | SYMRISE GMBH & CO. KG (DE) | 2007-11-22 | — | — | WO | disclosed |