⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17369254 | 1.00 | — | — | |
| SCHEMBL8665566 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL10387387 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL10702519 | 0.97 | — | — | |
| Butane SCHEMBL4812484 | 0.88 | CES2 (0.30) | — | |
| SCHEMBL10490176 | 0.88 | — | — | |
| Isothiocyanate SCHEMBL10490124 | 0.86 | — | — | |
| SCHEMBL440356 | 0.76 | — | — | |
| Phosphonic Acid SCHEMBL2274201 | 0.72 | — | — | |
| Phosphonic Acid SCHEMBL9639981 | 0.72 | TSHR (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5112380-A | PRESERVATIVE FOR PLANTS COMPRISING ALKENYLPHOSPHONIC ACIDS AND, OPTIONALLY, DIPICOLINIC ACID | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1992-05-12 | — | — | US | claimed |
| US-5112380-A | PRESERVATIVE FOR PLANTS COMPRISING ALKENYLPHOSPHONIC ACIDS AND, OPTIONALLY, DIPICOLINIC ACID | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1992-05-12 | — | — | US | disclosed |