⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1619697 | 0.81 | ALDH1A1 (0.42) | — | |
| SCHEMBL10062286 | 0.77 | TSHR (0.39) | — | |
| SCHEMBL8705547 | 0.77 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL9175169 | 0.74 | CA1 (0.41) | — | |
| SCHEMBL6852534 | 0.74 | SMN1; SMN2 (0.46) | — | |
| SCHEMBL6648517 | 0.74 | SMN1; SMN2 (0.46) | — | |
| SCHEMBL222114 | 0.72 | — | — | |
| SCHEMBL1555007 | 0.72 | — | — | |
| SCHEMBL3733293 | 0.72 | — | — | |
| SCHEMBL6861085 | 0.71 | HCAR2 (0.42) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7928222-B2 | Porphyrin compound, process for producing porphyrin compound, three-dimensional optical recording material, and three-dimensional optical recording medium | National University Corporation NARA Institute of Science and Technology (JP) | 2011-04-19 | — | — | US | disclosed |
| US-7829580-B2 | Cyclic amine derivative having heteroaryl ring | SANKYO COMPANY, LTD. (JP) | 2010-11-09 | — | — | US | disclosed |
| US-20070224529-A1 | Porphyrin compound, process for producing porphyrin compound, three-dimensional optical recording material, and three-dimensional optical recording medium | National University Corporation NARA Institute of Science and Technology (JP) | 2007-09-27 | — | — | US | disclosed |
| CN-1910151-A | Cyclic amine derivative with heteroaryl ring | SANKYO CO (JP) | 2007-02-07 | — | — | CN | disclosed |
| US-20060270706-A1 | Cyclic amine derivative having heteroaryl ring | SANKYO COMPANY, LTD. (JP) | 2006-11-30 | — | — | US | disclosed |
| EP-1695962-A1 | CYCLIC AMINE DERIVATIVE HAVING HETEROARYL RING | Sankyo Company, Limited (JP) | 2006-08-30 | — | — | EP | disclosed |
| CN-1094044-A | Imidazopyridine | MERCK PATENT GMBH (DE) | 1994-10-26 | — | — | CN | disclosed |
| CN-1089608-A | Imidazopyridine | MERCK PATENT GMBH (DE) | 1994-07-20 | — | — | CN | disclosed |