⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28129552 | 0.97 | CA1 (0.48) | — | |
| SCHEMBL301444 | 0.83 | CA1 (0.60) | — | |
| SCHEMBL12479668 | 0.81 | CA1 (0.57) | — | |
| SCHEMBL27539096 | 0.81 | CA1 (0.57) | — | |
| SCHEMBL3844382 | 0.81 | CA1 (0.57) | — | |
| Sulfuric Acid SCHEMBL10888248 | 0.81 | CA1 (0.52) | — | |
| SCHEMBL31083284 | 0.80 | CA1 (0.57) | — | |
| SCHEMBL25630429 | 0.80 | CA1 (0.57) | — | |
| SCHEMBL4799214 | 0.80 | CA1 (0.55) | — | |
| SCHEMBL3842967 | 0.80 | CA1 (0.55) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-205089379-U | Gas turbine engine system and be used for wasing its cleaning system | GEN ELECTRIC | 2016-03-16 | — | — | CN | disclosed |
| US-5409574-A | Reduced foaming; tensile strength; roofing; floors | RHONE-POULENC INC. (US) | 1995-04-25 | — | — | US | disclosed |
| US-5407536-A | Amphoteric surfactants as glass fiber dispersants for the manufacture of uniform glass fiber mats | RHONE-POULENC INC. (US) | 1995-04-18 | — | — | US | disclosed |