⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28057297 | 0.66 | PTAFR (0.31) | — | |
| SCHEMBL28319875 | 0.64 | PDE3B (0.34) | — | |
| SCHEMBL28057384 | 0.64 | PTAFR (0.30) | — | |
| SCHEMBL15177774 | 0.61 | — | — | |
| Hydrochloric Acid SCHEMBL28318712 | 0.61 | HDAC3 (0.38) | — | |
| SCHEMBL27678947 | 0.58 | CRBN (0.30) | — | |
| SCHEMBL27288958 | 0.55 | RYR2 (0.33) | — | |
| SCHEMBL26325572 | 0.54 | — | — | |
| SCHEMBL27710112 | 0.53 | — | — | |
| SCHEMBL5787030 | 0.50 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040138284-A1 | Indol-3-yl derivatives | WIESNER MATTHIAS | 2004-07-15 | — | — | US | disclosed |
| US-6743810-B2 | INTEGRIN INHIBITORS; TUMORS, OSTEOPOROSIS, OSTEOLYTIC DISEASES, SUPPRESSING ANGIOGENESIS, ANTITHROMBOTIC | MERCK PATENT GMBH (DE) | 2004-06-01 | — | — | US | disclosed |
| US-20030045728-A1 | Liberating 3-substituted indole compound from one of its functional derivatives by treatment with a solvolyzing or hydrogenating agent, amidation, saponification, alkylation or acylation, or salt formation | MERCK PATENT GMBH (DE) | 2003-03-06 | — | — | US | disclosed |