⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL144220 | 0.72 | — | — | |
| SCHEMBL2034998 | 0.72 | CYP2D6 (1.00) | — | |
| SCHEMBL298385 | 0.72 | CYP2D6 (1.00) | — | |
| Ammonia Solution, Strong SCHEMBL27893881 | 0.69 | CYP2D6 (0.92) | — | |
| Hydrochloric Acid SCHEMBL11150442 | 0.69 | CYP2D6 (0.92) | — | |
| Ammonia Solution, Strong SCHEMBL28227410 | 0.69 | CYP2D6 (0.92) | — | |
| SCHEMBL3433792 | 0.67 | — | — | |
| SCHEMBL3061048 | 0.67 | — | — | |
| SCHEMBL44558 | 0.67 | — | — | |
| SCHEMBL8717513 | 0.67 | — | — |
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-20210289794-A1 | COMPOSITIONS AND RELATED METHODS FOR AGRICULTURE | FLAGSHIP PIONEERING INNOVATIONS V, INC. | 2021-09-23 | — | — | US | disclosed |
| CN-104271622-A | Color-stable super-absorbent | BASF SE | 2015-01-07 | — | — | CN | disclosed |
| EP-1965798-B1 | USEFUL MONOBACTAM ANTIBIOTICS | BASILEA PHARMACEUTICA AG (CH) | 2011-10-19 | — | — | EP | disclosed |
| US-5847061-A | Process for producing polymers having terminal functional group which may be protected | KURARAY CO., LTD. (JP) | 1998-12-08 | — | — | US | disclosed |
| EP-0704460-B1 | PROCESS FOR PRODUCING POLYMER TERMINATED WITH OPTIONALLY PROTECTED FUNCTIONAL GROUP | KURARAY CO (JP) | 1998-11-04 | — | — | EP | disclosed |
| EP-0704460-A1 | PROCESS FOR PRODUCING POLYMER TERMINATED WITH OPTIONALLY PROTECTED FUNCTIONAL GROUP | KURARAY CO., LTD. (JP) | 1996-04-03 | — | — | EP | disclosed |