⚠ 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 | |
|---|---|---|---|---|
| 2-Chloroethanol SCHEMBL11105489 | 0.97 | — | — | |
| 2-Chloroethanol SCHEMBL10859887 | 0.95 | — | — | |
| 2-Chloroethanol SCHEMBL10861337 | 0.95 | — | — | |
| 2-Chloroethanol SCHEMBL10859578 | 0.95 | — | — | |
| 2-Chloroethanol SCHEMBL10862366 | 0.95 | — | — | |
| 2-Chloroethanol SCHEMBL10856926 | 0.95 | — | — | |
| 2-Chloroethanol SCHEMBL10861873 | 0.95 | — | — | |
| 2-Chloroethanol SCHEMBL10858350 | 0.95 | — | — | |
| 2-Chloroethanol SCHEMBL10860488 | 0.95 | — | — | |
| 2-Chloroethanol SCHEMBL10861439 | 0.95 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4579720-A | USING HYDROXYMETHANE DIPHOSPHONIC ACID | PLAINS CHEMICAL DEVELOPMENT CO. (US) | 1986-04-01 | — | — | US | disclosed |
| US-4440646-A | HYDROXY OR HALOALKANEPHOSPHONATES | PLAINS CHEMICAL DEVELOPMENT CO. (US) | 1984-04-03 | — | — | US | disclosed |
| US-4188234-A | STABILIZATION OF VINYL POLYMERS, POLYPHOSPHONIC ACID CHELATING AGENT, PROTECTIVE COATINGS | PLAINS CHEMICAL DEVELOPMENT CO. (US) | 1980-02-12 | — | — | US | disclosed |
| US-4116990-A | OF NON-ALKALI METAL IONS WITH PHOSPHORUS CHELATING COMPOUND | PLAINS CHEMICAL DEVELOPMENT CO. (US) | 1978-09-26 | — | — | US | disclosed |
| US-4020091-A | TIN SALTS OF POLYPHOSPHONIC ACIDS | PLAINS CHEMICAL DEVELOPMENT CO. (US) | 1977-04-26 | — | — | US | disclosed |