⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4114428 | 0.84 | PNMT (0.38) | — | |
| Hydrochloric Acid SCHEMBL20837912 | 0.82 | PNMT (0.36) | — | |
| SCHEMBL6512096 | 0.75 | PNMT (0.47) | — | |
| SCHEMBL19436351 | 0.72 | PNMT (0.39) | — | |
| SCHEMBL2043642 | 0.70 | — | — | |
| SCHEMBL20852901 | 0.69 | HPGD (0.38) | — | |
| SCHEMBL4303248 | 0.69 | PARP10 (0.47) | — | |
| SCHEMBL3305861 | 0.68 | — | — | |
| SCHEMBL8870400 | 0.67 | — | — | |
| SCHEMBL9048898 | 0.65 | NOTUM (0.43) | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104177363-A | Bicyclic heterocyclic amine Hedgehog signal pathway inhibitor | JIANGSU SIMCERE PHARMACEUTICAL | 2014-12-03 | — | — | CN | claimed |
| CN-104003990-A | Heterocyclic amine Hedgehog signal path inhibitor | JIANGSU SIMCERE PHARM RES CO | 2014-08-27 | — | — | CN | claimed |
| CN-103864770-A | Pyrimidinamine and pyridinamine Hedgehog signal conduction inhibitors | JIANGSU SIMCERE PHARMACEUTICAL | 2014-06-18 | — | — | CN | claimed |
| WO-2024141554-A1 | COMPOUNDS AFFECTING KRAS | UNIVERSITAT DE BARCELONA (ES) | 2024-07-04 | — | — | WO | disclosed |
| EP-4393908-A1 | BIS-PYRAZOLYL-METHANE COMPOUNDS AFFECTING KRAS | Universitat de Barcelona (ES) | 2024-07-03 | — | — | EP | disclosed |
| US-9812315-B2 | Treating solution for electronic parts, and process for producing electronic parts | FINE POLYMERS CORPORATION (JP) | 2017-11-07 | — | — | US | disclosed |
| EP-3194480-A1 | CONJUGATED POLYMERS | Merck Patent GmbH (DE) | 2017-07-26 | — | — | EP | disclosed |
| WO-2016037678-A1 | CONJUGATED POLYMERS | MERCK PATENT GMBH (DE) | 2016-03-17 | — | — | WO | disclosed |
| US-20150279654-A1 | TREATING SOLUTION FOR ELECTRONIC PARTS, AND PROCESS FOR PRODUCING ELECTRONIC PARTS | FINE POLYMERS CORPORATION (JP) | 2015-10-01 | — | — | US | disclosed |
| CN-104177363-A | Bicyclic heterocyclic amine Hedgehog signal pathway inhibitor | JIANGSU SIMCERE PHARMACEUTICAL | 2014-12-03 | — | — | CN | disclosed |
| CN-104003990-A | Heterocyclic amine Hedgehog signal path inhibitor | JIANGSU SIMCERE PHARM RES CO | 2014-08-27 | — | — | CN | disclosed |
| CN-103864770-A | Pyrimidinamine and pyridinamine Hedgehog signal conduction inhibitors | JIANGSU SIMCERE PHARMACEUTICAL | 2014-06-18 | — | — | CN | disclosed |
| EP-0792273-B1 | BICYCLIC OXAZINE AND THIAZINE OXAZOLIDINONE ANTIBACTERIALS | UPJOHN CO (US) | 2003-03-05 | — | — | EP | disclosed |
| US-5952324-A | BACTERICIDES AGAINST A NUMBER OF HUMAN AND VETERINARY PATHOGENS, INCLUDING GRAMPOSITIVE AEROBIC BACTERIA SUCH AS STAPHYLOCOCCI, STREPTOCOCCI, ENTEROCOCCI AND ANAEROBIC ORGANISMS SUCH AS BACTEROIDES, CLOSTRIDIA AND MYCOBACTERIUM | PHARMACIA & UPJOHN COMPANY (US) | 1999-09-14 | — | — | US | disclosed |
| EP-0792273-A1 | BICYCLIC OXAZINE AND THIAZINE OXAZOLIDINONE ANTIBACTERIALS | PHARMACIA & UPJOHN COMPANY (US) | 1997-09-03 | — | — | EP | disclosed |
| WO-1996015130-A1 | BICYCLIC OXAZINE AND THIAZINE OXAZOLIDINONE ANTIBACTERIALS | PHARMACIA + UPJOHN COMPANY (US) | 1996-05-23 | — | — | WO | disclosed |