⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1986435 | 0.86 | — | — | |
| SCHEMBL127460 | 0.84 | CYP2C19 (0.32) | — | |
| SCHEMBL127981 | 0.79 | — | — | |
| SCHEMBL3084499 | 0.68 | CYP2C19 (0.39) | — | |
| SCHEMBL19282117 | 0.66 | CHRM2 (0.35) | — | |
| SCHEMBL14635932 | 0.65 | — | — | |
| SCHEMBL10648088 | 0.65 | — | — | |
| SCHEMBL52084 | 0.64 | — | — | |
| SCHEMBL32672837 | 0.64 | CHRM2 (0.32) | — | |
| SCHEMBL9520004 | 0.64 | ALDH1A1 (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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-53056697-A | — | — | None | — | — | JP | disclosed |
| US-20240018505-A1 | ENZYMATIC MONOCYCLIZATION OF ACYCLIC MONOTERPENOIDS | UNIVESITAET STUTTGART (DE) | 2024-01-18 | — | — | US | disclosed |
| EP-3026048-B1 | Hexahydrobenzofurans and hexahydrochromenes - method for production and their use as fragrance compounds | SYMRISE AG (DE) | 2018-07-25 | — | — | EP | disclosed |
| WO-2016083372-A1 | HEXAHYDROBENZOFURANES AND HEXAHYDROCHROMENES, METHOD FOR THE PRODUCTION THEREFOR AND USE THEREOF AS FRAGRANCE PRODUCTS | SYMRISE AG (DE) | 2016-06-02 | — | — | WO | disclosed |
| EP-3026048-A1 | Hexahydrobenzofurans and hexahydrochromens - method for production and their use as fragrance compounds | Symrise AG (DE) | 2016-06-01 | — | — | EP | disclosed |
| WO-2009085226-A2 | INHIBITORS OF CDC2-LIKE KINASES (CLKS) AND METHODS OF USE THEREOF | SIRTRIS PHARMACEUTICALS, INC. (US) | 2009-07-09 | — | — | WO | disclosed |
| WO-2009014674-A1 | HETEROCYCLYLAMIDES AS GUT MICROSOMAL TRIGLYCERIDE TRANSPORT PROTEIN INHIBITORS | SIRTRIS PHARMACEUTICALS, INC. (US) | 2009-01-29 | — | — | WO | disclosed |
| US-20080249130-A1 | Gut microsomal triglyceride transport protein inhibitors | SIRTRIS PHARMACEUTICALS, INC. (US) | 2008-10-09 | — | — | US | disclosed |
| WO-2008100423-A1 | GUT MICROSOMAL TRIGLYCERIDE TRANSPORT PROTEIN INHIBITORS | SIRTRIS PHARMACEUTICALS, INC. (US) | 2008-08-21 | — | — | WO | disclosed |
| JP-S5356697-A | 5,8-EPIDIOXY-1H,2H,3H,5H,8H,8AH-HEXAHYDRO-1,2-DIOXANAPHTHALENE DERIVATIVESAND THEIR PREPARATION | SAGAMI CHEM RES CENTER | 1978-05-23 | — | — | JP | disclosed |