⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5892042 | 0.84 | CXCR4 (0.40) | — | |
| SCHEMBL8301608 | 0.84 | CXCR4 (0.40) | — | |
| SCHEMBL24854381 | 0.82 | — | — | |
| SCHEMBL5892038 | 0.80 | CXCR4 (0.41) | — | |
| SCHEMBL7171552 | 0.77 | CHRM5 (0.35) | — | |
| SCHEMBL10418359 | 0.71 | CXCR4 (0.46) | — | |
| Hydrochloric Acid SCHEMBL5631905 | 0.70 | CXCR4 (0.45) | — | |
| Hydrochloric Acid SCHEMBL5631900 | 0.70 | CXCR4 (0.45) | — | |
| SCHEMBL7840190 | 0.69 | HTR1A (0.57) | — | |
| SCHEMBL17305889 | 0.69 | HTR1A (0.57) | — |
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-6936574-B2 | Process for controlling gas migration during well cementing | HALLIBURTON ENERGY SERVICES, INC. (US) | 2005-08-30 | — | — | US | claimed |
| US-5498409-A | TO REMOVE ENDOTOXINS IN MEDICAL SOLUTIONS SUCH AS INJECTIONS, TRANFUSIONS OR SALINE, A POLYETHYLENIMINE MIXED WITH ANOTHER POLYMER | Hirayama, Chuichi (JP) | 1996-03-12 | — | — | US | claimed |
| CN-112153985-B | Antifreezing agent for granular formulations | 埃泽瑞斯公司 | 2024-03-01 | — | — | CN | disclosed |
| CN-112153985-A | Antifreeze for granular formulations | 埃泽瑞斯公司 | 2020-12-29 | — | — | CN | disclosed |
| CN-104995020-B | Pressure sensitive adhesive blends for use in protective films | 3M创新有限公司 | 2017-12-08 | — | — | CN | disclosed |