⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13460696 | 0.82 | — | — | |
| SCHEMBL13393068 | 0.82 | — | — | |
| SCHEMBL11647536 | 0.82 | CYP1A2 (0.38) | — | |
| SCHEMBL1800269 | 0.81 | — | — | |
| SCHEMBL7323913 | 0.79 | ESR2 (0.33) | — | |
| SCHEMBL15521252 | 0.79 | NPC1 (0.34) | — | |
| SCHEMBL14495938 | 0.78 | — | — | |
| SCHEMBL20124745 | 0.75 | — | — | |
| SCHEMBL7784725 | 0.73 | CYP1A2 (0.31) | — | |
| SCHEMBL16359158 | 0.73 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3150590-A1 | S1P MODULATING AGENTS | Biogen MA Inc. (US) | 2017-04-05 | — | — | EP | disclosed |
| WO-2010150840-A1 | N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE | 大日本住友製薬株式会社 (JP) | 2010-12-29 | — | — | WO | disclosed |
| WO-2010073969-A2 | POLYSILOXANE COMPOSITION AND METHOD FOR PRODUCING THE SAME | DOW CORNING TORAY CO., LTD. (JP) | 2010-07-01 | — | — | WO | disclosed |
| WO-2009057821-A1 | MICROPARTICLE OF METAL OR METAL OXIDE HAVING SILICON-CONTAINING ORGANIC GROUP, AND METHOD FOR PRODUCING THE SAME | DOW CORNING TORAY CO., LTD. (JP) | 2009-05-07 | — | — | WO | disclosed |
| WO-2009057817-A1 | POLYSILOXANE COMPOSITION AND METHOD FOR PRODUCING THE SAME | DOW CORNING TORAY CO., LTD. (JP) | 2009-05-07 | — | — | WO | disclosed |
| US-4236023-A | Preparation of unsaturated monoesters by the catalytic oxidative carbonylation of diolefins with an enol ether or 1-alkoxycycloalkene | ATLANTIC RICHFIELD COMPANY (US) | 1980-11-25 | — | — | US | disclosed |
| US-4166913-A | COMPOUNDS OF PLATINUM GROUP AND OF COPPER OR IRON AS CATALYSTS | ATLANTIC RICHFIELD COMPANY (US) | 1979-09-04 | — | — | US | disclosed |
| US-4069388-A | Preparation of oxalate esters from carbon monoxide and an alkoxycycloalkene | ATLANTIC RICHFIELD COMPANY (US) | 1978-01-17 | — | — | US | disclosed |