⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11325902 | 0.82 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL17226870 | 0.78 | — | — | |
| SCHEMBL12844206 | 0.76 | — | — | |
| SCHEMBL792959 | 0.76 | — | — | |
| SCHEMBL793127 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL17372329 | 0.76 | CA2 (0.40) | — | |
| Methylene Chloride SCHEMBL27807279 | 0.76 | PDE5A (0.33) | — | |
| Hydrochloric Acid SCHEMBL793490 | 0.74 | CA2 (0.39) | — | |
| SCHEMBL7982137 | 0.73 | — | — | |
| SCHEMBL2075967 | 0.73 | NOS2 (0.47) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240343710-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF | 1CBIO, INC. | 2024-10-17 | — | — | US | disclosed |
| WO-2024178127-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF | 1CBIO, INC. (US) | 2024-08-29 | — | — | WO | disclosed |
| EP-2880025-A2 | SUBSTITUTED PYRROLES ACTIVE AS KINASES INHIBITORS | Nerviano Medical Sciences S.r.l. (IT) | 2015-06-10 | — | — | EP | disclosed |
| WO-2014019908-A2 | SUBSTITUTED PYRROLES ACTIVE AS KINASES INHIBITORS | NERVIANO MEDICAL SCIENCES S.R.L. (IT) | 2014-02-06 | — | — | WO | disclosed |
| US-7115597-B2 | Tyrosine kinase inhibitors | MERCK & CO., INC. (US) | 2006-10-03 | — | — | US | disclosed |
| US-20040063720-A1 | Tyrosine kinase inhibitors | MERCK & CO., INC. | 2004-04-01 | — | — | US | disclosed |
| EP-1341540-A2 | TYROSINE KINASE INHIBITORS | Merck & Co., Inc. (US) | 2003-09-10 | — | — | EP | disclosed |
| US-20020137755-A1 | Tyrosine kinase inhibitors | BILODEAU MARK T (US) | 2002-09-26 | — | — | US | disclosed |
| WO-2002045652-A2 | TYROSINE KINASE INHIBITORS | MERCK & CO., INC. (US) | 2002-06-13 | — | — | WO | disclosed |