⚠ 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 | |
|---|---|---|---|---|
| Hexane SCHEMBL9399052 | 0.88 | OPRM1 (0.55) | — | |
| SCHEMBL12522138 | 0.88 | OPRM1 (0.55) | — | |
| SCHEMBL24017046 | 0.87 | OPRM1 (0.50) | — | |
| SCHEMBL11095129 | 0.87 | OPRM1 (0.50) | — | |
| SCHEMBL14232499 | 0.81 | OPRM1 (0.60) | — | |
| SCHEMBL9794616 | 0.81 | OPRM1 (0.46) | — | |
| SCHEMBL11440291 | 0.80 | — | — | |
| SCHEMBL8075374 | 0.79 | OPRM1 (0.57) | — | |
| SCHEMBL11897247 | 0.79 | OPRM1 (0.43) | — | |
| SCHEMBL14928991 | 0.79 | — | — |
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-6372871-B1 | CURABLE LIQUID MIXTURE OF A POLYMER, PREFERABLY ACRYLIC, HAVING A 1,3-OXATHIOLANE-2-THIOL AND A KETIMINE, ENAMINE OR AN ALDIMINE; COATINGS; ADHESIVES; INKS; SEALS; STORAGE STABILITY | KYOWA YUKA CO., LTD. (JP) | 2002-04-16 | — | — | US | claimed |