⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9647540 | 0.98 | — | — | |
| SCHEMBL8148135 | 0.73 | — | — | |
| SCHEMBL31542512 | 0.73 | — | — | |
| SCHEMBL6351217 | 0.71 | — | — | |
| SCHEMBL5139766 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL8927894 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL10692293 | 0.70 | — | — | |
| SCHEMBL22658066 | 0.70 | — | — | |
| SCHEMBL7062485 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL10692285 | 0.70 | — | — |
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-4820671-A | TREATMENT WITH HYDROGEN | THE DOW CHEMICAL COMPANY (US) | 1989-04-11 | — | — | US | disclosed |
| US-4695669-A | Process for propylene dimerization | THE DOW CHEMICAL COMPANY (US) | 1987-09-22 | — | — | US | disclosed |