⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22444553 | 0.87 | CA1 (0.34) | — | |
| SCHEMBL23797175 | 0.85 | OPRM1 (0.37) | — | |
| SCHEMBL23797182 | 0.84 | TSHR (0.30) | — | |
| SCHEMBL22444563 | 0.84 | ZDHHC7 (0.38) | — | |
| SCHEMBL23797146 | 0.84 | ZDHHC7 (0.38) | — | |
| SCHEMBL22444549 | 0.84 | ZDHHC7 (0.38) | — | |
| SCHEMBL23797164 | 0.84 | ZDHHC7 (0.38) | — | |
| SCHEMBL5248815 | 0.81 | — | — | |
| SCHEMBL23797193 | 0.80 | THRB (0.31) | — | |
| SCHEMBL22444511 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-113574041-B | Bisphenol production method and polycarbonate resin production method | 三菱化学株式会社 | 2023-10-13 | — | — | CN | disclosed |
| US-20230086342-A1 | USE OF SPECIFIC OPEN-CHAIN ETHER ISOCYANATES | COVESTRO DEUTSCHLAND AG (DE) | 2023-03-23 | — | — | US | disclosed |
| EP-4118161-A1 | USE OF SPECIFIC OPEN-CHAIN ETHER ISOCYANATES | Covestro Deutschland AG (DE) | 2023-01-18 | — | — | EP | disclosed |
| CN-113574041-A | Method for producing bisphenol and method for producing polycarbonate resin | 三菱化学株式会社 | 2021-10-29 | — | — | CN | disclosed |
| WO-2021180709-A1 | USE OF SPECIFIC OPEN-CHAIN ETHER ISOCYANATES | COVESTRO DEUTSCHLAND AG (DE) | 2021-09-16 | — | — | WO | disclosed |
| EP-3878914-A1 | USE OF SPECIFIC OPEN-CHAIN ETHER ISOCYANATES | Covestro Deutschland AG (DE) | 2021-09-15 | — | — | EP | disclosed |
| WO-2020189201-A1 | METHOD FOR PRODUCING BISPHENOL AND METHOD FOR PRODUCING POLYCARBONATE RESIN | 三菱ケミカル株式会社 | 2020-09-24 | — | — | WO | disclosed |