⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11146220 | 0.73 | CYP2D6 (0.30) | — | |
| SCHEMBL11151650 | 0.67 | ALDH1A1 (0.31) | — | |
| SCHEMBL2137795 | 0.66 | ALDH1A1 (0.33) | — | |
| SCHEMBL11151605 | 0.65 | — | — | |
| SCHEMBL7868292 | 0.65 | TSHR (0.35) | — | |
| SCHEMBL485261 | 0.65 | TSHR (0.35) | — | |
| SCHEMBL11133025 | 0.62 | — | — | |
| SCHEMBL2887461 | 0.61 | MAOB (0.31) | — | |
| SCHEMBL1381822 | 0.61 | — | — | |
| SCHEMBL11150286 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3802113-B1 | TYRE FOR VEHICLE WHEELS | PIRELLI (IT) | 2024-02-07 | — | — | EP | claimed |
| EP-3807106-B1 | TYRE FOR VEHICLE WHEELS | PIRELLI (IT) | 2022-08-03 | — | — | EP | claimed |
| EP-2411354-B2 | STABILIZATION OF POLYOLS | LANXESS DEUTSCHLAND GMBH (DE) | 2017-10-04 | — | — | EP | disclosed |
| EP-2411354-B1 | STABILIZATION OF POLYOLS | LANXESS DEUTSCHLAND GMBH (DE) | 2013-11-27 | — | — | EP | disclosed |
| EP-2411354-A1 | STABILIZATION OF POLYOLS | LANXESS Deutschland GmbH (DE) | 2012-02-01 | — | — | EP | disclosed |
| WO-2010108840-A1 | STABILIZATION OF POLYOLS | LANXESS DEUTSCHLAND GMBH (DE) | 2010-09-30 | — | — | WO | disclosed |
| US-4405742-A | Process for the production of high molecular weight polychloroprene and its use as a starting material for adhesives | BAYER AKTIENGESELLSCHAFT (DE) | 1983-09-20 | — | — | US | disclosed |