⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6649780 | 0.81 | — | — | |
| SCHEMBL23495517 | 0.79 | NPC1 (0.32) | — | |
| SCHEMBL5988117 | 0.69 | GRM1 (0.45) | — | |
| Hydrochloric Acid SCHEMBL5987774 | 0.68 | GRM1 (0.44) | — | |
| SCHEMBL9799212 | 0.67 | NPC1 (0.33) | — | |
| SCHEMBL6653204 | 0.67 | TSHR (0.33) | — | |
| SCHEMBL6682124 | 0.66 | EPHX1 (0.33) | — | |
| SCHEMBL20530261 | 0.65 | SLC1A2 (0.33) | — | |
| SCHEMBL2026426 | 0.64 | ALDH1A1 (0.38) | — | |
| SCHEMBL4028622 | 0.63 | ALDH1A1 (0.44) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6287746-B1 | PHOTOACID GENERATOR | NEC CORPORATION (JP) | 2001-09-11 | — | — | US | disclosed |
| US-6030747-A | CHEMICALLY AMPLIFIED RESIST CONSISTS OF A PHOTOACID GENERATOR, A CROSSLINKING AGENT ACTIVATED IN PRESENCE OF ACID AND A COPOLYMER OF ACRYLIC OR METHACRYLIC ESTER CONTAINING AN ACID, HYDROXY OR ESTER POLAR GROUP AND A COMPOUND | NEC CORPORATION (JP) | 2000-02-29 | — | — | US | disclosed |