⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17443198 | 0.78 | TSHR (0.32) | — | |
| SCHEMBL10381787 | 0.78 | ALDH1A1 (0.32) | — | |
| SCHEMBL9056371 | 0.69 | — | — | |
| SCHEMBL9444997 | 0.67 | — | — | |
| SCHEMBL6902856 | 0.67 | — | — | |
| SCHEMBL14000783 | 0.65 | — | — | |
| SCHEMBL515418 | 0.65 | TSHR (0.38) | — | |
| SCHEMBL147241 | 0.65 | — | — | |
| SCHEMBL5791362 | 0.65 | — | — | |
| SCHEMBL3268662 | 0.65 | TSHR (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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10479748-B2 | Oxidation of C1-9-alkanes | CAMBRIDGE ENTERPRISE LIMITED (GB) | 2019-11-19 | — | — | US | disclosed |
| US-20190161423-A1 | Oxidation of C1-9-Alkanes | CAMBRIDGE ENTERPRISE LIMITED (GB) | 2019-05-30 | — | — | US | disclosed |
| EP-0339887-B1 | Process for the preparation of indigo compounds | MITSUI TOATSU CHEMICALS (JP) | 1996-07-10 | — | — | EP | disclosed |
| US-4973706-A | OXIDATION OF INDOLE WITH HYDROPEROXIDE | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1990-11-27 | — | — | US | disclosed |
| EP-0339887-A1 | Process for the preparation of indigo compounds | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1989-11-02 | — | — | EP | disclosed |
| US-4363902-A | Process and heavy metal catalyst for the polymerization of α-olefins, particularly polyethylene | WACKER-CHEMIE GMBH (DE) | 1982-12-14 | — | — | US | disclosed |