⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28251477 | 0.78 | ALDH1A1 (0.44) | — | |
| SCHEMBL9724371 | 0.77 | TSHR (0.35) | — | |
| SCHEMBL446877 | 0.68 | TSHR (0.41) | — | |
| SCHEMBL8916573 | 0.68 | MGAM (0.38) | — | |
| SCHEMBL3205875 | 0.66 | TSHR (0.38) | — | |
| SCHEMBL8526100 | 0.66 | — | — | |
| SCHEMBL27445719 | 0.66 | — | — | |
| SCHEMBL27281470 | 0.65 | MGAM (0.52) | — | |
| SCHEMBL28292295 | 0.65 | — | — | |
| SCHEMBL3019997 | 0.65 | TSHR (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4276388-A | UNSATURATED POLYESTER, DIALKYL ESTER OF ALKENYL SUCCINIC ACID AND AN UNSATURATED COMPOUND | HITACHI CHEMICAL COMPANY, LTD. (JP) | 1981-06-30 | — | — | US | claimed |
| JP-54095635-A | — | — | None | — | — | JP | disclosed |
| US-6296696-B1 | One-pass method for preparing paper size emulsions | NATIONAL STARCH & CHEMICAL INVESTMENT HOLDING CORPORATION | 2001-10-02 | — | — | US | disclosed |
| US-4276388-A | UNSATURATED POLYESTER, DIALKYL ESTER OF ALKENYL SUCCINIC ACID AND AN UNSATURATED COMPOUND | HITACHI CHEMICAL COMPANY, LTD. (JP) | 1981-06-30 | — | — | US | disclosed |
| JP-S5495635-A | COATING COMPOSITION CAPABLE OF BEING DILUTED WITH WATER | HITACHI CHEM CO LTD | 1979-07-28 | — | — | JP | disclosed |