⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL277971 | 0.95 | — | — | |
| SCHEMBL27393212 | 0.91 | TSHR (0.32) | — | |
| SCHEMBL28232053 | 0.91 | — | — | |
| SCHEMBL7966070 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL27733224 | 0.91 | — | — | |
| SCHEMBL27708038 | 0.91 | — | — | |
| SCHEMBL28134932 | 0.91 | — | — | |
| SCHEMBL28324148 | 0.81 | — | — | |
| SCHEMBL4784717 | 0.78 | — | — | |
| SCHEMBL27779421 | 0.78 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5130308-A | Indole derivatives as anticarcinogenic agents | ASTA PHARMA (DE) | 1992-07-14 | — | — | US | disclosed |
| US-4992553-A | Treatment of hormone dependent tumors | ASTA PHARMA AKTIENGESELLSCHAFT (DE) | 1991-02-12 | — | — | US | disclosed |
| EP-0166359-B1 | RECYCLE OF BUTADIENE PRODUCT IN CATALYTIC DEHYDROGENATION PROCESS | PHILLIPS PETROLEUM COMPANY (US) | 1990-08-01 | — | — | EP | disclosed |
| EP-0166359-A2 | Recycle of butadiene product in catalytic dehydrogenation process | PHILLIPS PETROLEUM COMPANY (US) | 1986-01-02 | — | — | EP | disclosed |
| US-4206035-A | CATALYTIC DEHYDROGENATION | PHILLIPS PETROLEUM COMPANY (US) | 1980-06-03 | — | — | US | disclosed |
| US-3957688-A | GROUP VIII METAL, GOLD, SILVER, TIN ON A SUPPORT | PHILLIPS PETROLEUM COMPANY (US) | 1976-05-18 | — | — | US | disclosed |