⚠ 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 SCHEMBL10861561 | 0.97 | — | — | |
| 1,2-Dichloroethane SCHEMBL10860784 | 0.91 | ALDH1A1 (0.36) | — | |
| SCHEMBL10859871 | 0.88 | — | — | |
| Ethylene Glycol SCHEMBL11777839 | 0.84 | TSHR (0.36) | — | |
| Methylene Chloride SCHEMBL908969 | 0.84 | — | — | |
| 2-Chloroethanol SCHEMBL10859648 | 0.83 | — | — | |
| Methylene Chloride SCHEMBL10862537 | 0.81 | — | — | |
| Phosphonic Acid SCHEMBL11858053 | 0.81 | — | — | |
| SCHEMBL11256715 | 0.78 | — | — | |
| SCHEMBL30492 | 0.77 | — | — |
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-4440646-A | HYDROXY OR HALOALKANEPHOSPHONATES | PLAINS CHEMICAL DEVELOPMENT CO. (US) | 1984-04-03 | — | — | US | claimed |
| 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 |