⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3997474 | 0.76 | — | — | |
| SCHEMBL1707211 | 0.76 | — | — | |
| SCHEMBL1707416 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL669549 | 0.72 | — | — | |
| SCHEMBL9619805 | 0.72 | — | — | |
| Bicarbonate SCHEMBL8829543 | 0.71 | TP53 (0.37) | — | |
| SCHEMBL1707246 | 0.70 | CHRM1 (0.38) | — | |
| Trifluoroacetic Acid SCHEMBL5493316 | 0.69 | RNPEP (0.36) | — | |
| Trifluoroacetic Acid SCHEMBL3055318 | 0.69 | ALDH1A1 (0.38) | — | |
| SCHEMBL25186548 | 0.68 | THRB (0.39) | — |
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-9283199-B2 | Halogenated aliphatic carboxylic acids, oligomers and/or polymers thereof and their use in devitalizing external and internal neoplasms | CIMAS LIMITED (CY) | 2016-03-15 | — | — | US | disclosed |
| US-20160067198-A1 | HALOGENATED ALIPHATIC CARBOXYLIC ACIDS, OLIGOMERS AND/OR POLYMERS THEREOF AND THEIR USE IN DEVITALIZING EXTERNAL AND INTERNAL NEOPLASMS | CIMAS LIMITED (CY) | 2016-03-10 | — | — | US | disclosed |
| CN-102695503-A | Halogenated aliphatic carboxylic acids, oligomers and/or polymers thereof and their use for inactivating external and internal neoplasias | MARDI MEDICINES LTD | 2012-09-26 | — | — | CN | disclosed |
| EP-2440198-A2 | HALOGENATED ALIPHATIC CARBOXYLIC ACIDS, OLIGOMERS AND/OR POLYMERS THEREOF AND THEIR USE IN DEVITALIZING EXTERNAL AND INTERNAL NEOPLASMS | Mardi Medicines Ltd. (IL) | 2012-04-18 | — | — | EP | disclosed |
| US-20110052641-A1 | HALOGENATED ALIPHATIC CARBOXYLIC ACIDS, OLIGOMERS AND/OR POLYMERS THEREOF AND THEIR USE IN DEVITALIZING EXTERNAL AND INTERNAL NEOPLASMS | MARDI MEDICINES LTD. (IL) | 2011-03-03 | — | — | US | disclosed |
| WO-2010143188-A2 | HALOGENATED ALIPHATIC CARBOXYLIC ACIDS, OLIGOMERS AND/OR POLYMERS THEREOF AND THEIR USE IN DEVITALIZING EXTERNAL AND INTERNAL NEOPLASMS | MARDI MEDICINES LTD. (IL) | 2010-12-16 | — | — | WO | disclosed |