⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL234277 | 0.74 | ADRB1 (0.31) | — | |
| SCHEMBL9184477 | 0.74 | — | — | |
| SCHEMBL7522701 | 0.68 | CYP2B6 (0.34) | — | |
| SCHEMBL11215696 | 0.68 | — | — | |
| SCHEMBL20158590 | 0.68 | — | — | |
| SCHEMBL6245071 | 0.67 | — | — | |
| SCHEMBL31427551 | 0.66 | ALDH1A1 (0.31) | — | |
| SCHEMBL10978926 | 0.64 | — | — | |
| SCHEMBL24895654 | 0.64 | ALDH1A1 (0.38) | — | |
| SCHEMBL7940768 | 0.60 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-60240416-A | — | — | None | — | — | JP | disclosed |
| CN-104981494-B | It is suitable for manufacturing the amine of polyurethane | 赢创德固赛有限公司 | 2017-06-06 | — | — | CN | disclosed |
| CN-105968291-A | Production of polyurethane systems using polyether polycarbonate polyols | 赢创德固赛有限公司 | 2016-09-28 | — | — | CN | disclosed |
| US-6271274-B1 | HARD POLYISOCYANURATE FOAM WITH OPEN CELLS AS SUPPORTERS TO FIX AND SUPPORT A PLANT WITH FOAMING AGENTS | TOYO QUALITY ONE CORPORATION (JP) | 2001-08-07 | — | — | US | disclosed |
| JP-S60240416-A | SHORTENING OF MOLD REMOVING TIME | MITUI TOATSU CHEM INC | 1985-11-29 | — | — | JP | disclosed |