⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL434342 | 0.72 | — | — | |
| SCHEMBL4679143 | 0.72 | — | — | |
| SCHEMBL9781990 | 0.68 | — | — | |
| SCHEMBL19175544 | 0.67 | — | — | |
| SCHEMBL6833847 | 0.67 | — | — | |
| SCHEMBL1394069 | 0.67 | — | — | |
| SCHEMBL7995731 | 0.67 | — | — | |
| SCHEMBL24844789 | 0.65 | NAPRT (0.57) | — | |
| SCHEMBL1227049 | 0.65 | NAPRT (0.57) | — | |
| SCHEMBL27404474 | 0.65 | AKR1B1 (0.48) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |
| US-11225655-B2 | Bi-functional complexes and methods for making and using such complexes | NUEVOLUTION A/S (DK) | 2022-01-18 | — | — | US | disclosed |
| EP-3540059-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | Nuevolution A/S (DK) | 2019-09-18 | — | — | EP | disclosed |
| EP-2558577-B1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION AS (DK) | 2018-12-12 | — | — | EP | disclosed |
| CN-104045635-A | 3,4,5-tri-substituted isoxazole compounds and applications thereof | UNIV EAST CHINA SCIENCE & TECH | 2014-09-17 | — | — | CN | disclosed |
| US-20130281324-A1 | BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2013-10-24 | — | — | US | disclosed |
| CN-101743232-B | Compounds and methods for modulating fxr | LILLY CO ELI | 2013-03-06 | — | — | CN | disclosed |
| CN-101743232-A | Regulate the Compounds and methods for of FXR | LILLY CO ELI | 2010-06-16 | — | — | CN | disclosed |
| EP-0874629-A4 | ISOXAZOLINE, ISOTHIAZOLINE AND PYRAZOLINE FACTOR Xa INHIBITORS | DU PONT MERCK PHARMA (US) | 1999-08-04 | — | — | EP | disclosed |
| EP-0874629-A1 | ISOXAZOLINE, ISOTHIAZOLINE AND PYRAZOLINE FACTOR Xa INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-11-04 | — | — | EP | disclosed |
| WO-1997023212-A1 | ISOXAZOLINE, ISOTHIAZOLINE AND PYRAZOLINE FACTOR Xa INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-07-03 | — | — | WO | disclosed |