⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1274236 | 0.77 | CA12 (0.39) | — | |
| SCHEMBL15256407 | 0.74 | MMP1 (0.38) | — | |
| SCHEMBL16382107 | 0.74 | MMP1 (0.42) | — | |
| SCHEMBL17030199 | 0.74 | NOS1 (0.34) | — | |
| SCHEMBL11887165 | 0.74 | — | — | |
| SCHEMBL26037089 | 0.71 | — | — | |
| SCHEMBL16382259 | 0.70 | MMP1 (0.39) | — | |
| SCHEMBL5764014 | 0.70 | — | — | |
| SCHEMBL8820593 | 0.70 | — | — | |
| SCHEMBL1369361 | 0.70 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1996017612-A1 | USE OF SUBSTITUTED PHENYLAMIDINE AND PHENYLGUANIDINE COMPOUNDS FOR THE TREATMENT OF CEREBRAL AND CARDIAC ISCHAEMIA, CONVULSION AND SICKLE CELL ANAEMIA | KNOLL AKTIENGESELLSCHAFT (DE) | 1996-06-13 | — | — | WO | disclosed |
| US-5373008-A | Phenylamidine and phenylguanidine derivatives and their use as anti-diabetic agents | THE BOOTS COMPANT PLC. (GB) | 1994-12-13 | — | — | US | disclosed |
| US-5223498-A | Hypoglycemic agents | THE BOOTS COMPANY PLC (GB) | 1993-06-29 | — | — | US | disclosed |