⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL167313 | 0.97 | — | — | |
| Water SCHEMBL27487253 | 0.95 | — | — | |
| SCHEMBL28232601 | 0.95 | — | — | |
| SCHEMBL6465629 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL28775240 | 0.95 | CTSD (0.68) | — | |
| Hydrochloric Acid SCHEMBL7815066 | 0.95 | — | — | |
| Ammonia Solution, Strong SCHEMBL28324156 | 0.93 | CTSD (0.65) | — | |
| SCHEMBL402128 | 0.90 | — | — | |
| Sulfuric Acid SCHEMBL28607183 | 0.89 | CTSD (0.60) | — | |
| SCHEMBL1272524 | 0.88 | CTSD (0.65) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-2009149606-A | COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS | MASSACHUSETTS INST OF TECHNOLOGY | 2009-07-09 | — | — | JP | disclosed |
| US-5130480-A | In silver halide elements; images with ultrahigh contrast; reprography, photo typesetting, photomasks | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1992-07-14 | — | — | US | disclosed |