⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12583810 | 0.86 | ALDH1A1 (0.39) | — | |
| SCHEMBL29061552 | 0.69 | GRM7 (0.33) | — | |
| SCHEMBL4788432 | 0.68 | ACHE (0.41) | — | |
| SCHEMBL1297841 | 0.66 | TDP2 (0.56) | — | |
| SCHEMBL29470951 | 0.66 | TDP2 (0.56) | — | |
| SCHEMBL13838039 | 0.65 | CTRC (0.45) | — | |
| SCHEMBL10783321 | 0.64 | MAPT (0.49) | — | |
| SCHEMBL20496850 | 0.63 | ALOX15 (0.39) | — | |
| SCHEMBL29112080 | 0.63 | KDM4E (0.39) | — | |
| SCHEMBL11360000 | 0.62 | ALOX15 (0.38) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150344627-A1 | LOW MODULUS NEGATIVE TONE, AQUEOUS DEVELOPABLE PHOTORESIST | DESIGNER MOLECULES, INC | 2015-12-03 | — | — | US | disclosed |