⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3827585 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL1465426 | 0.98 | GLI1 (0.53) | — | |
| Hydrochloric Acid SCHEMBL5781919 | 0.98 | GLI1 (0.53) | — | |
| SCHEMBL490079 | 0.89 | GLI1 (0.66) | — | |
| SCHEMBL255493 | 0.89 | GLI1 (0.66) | — | |
| SCHEMBL894617 | 0.89 | GLI1 (0.66) | — | |
| Hydrochloric Acid SCHEMBL490043 | 0.87 | GLI1 (0.63) | — | |
| SCHEMBL2915363 | 0.87 | GLI1 (0.48) | — | |
| SCHEMBL16992331 | 0.87 | GLI1 (0.58) | — | |
| Hydrochloric Acid SCHEMBL6387850 | 0.87 | GLI1 (0.63) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118339156-A | 2-Diazo-3-oxo-2, 3-dihydrospiro [ indene-1, 9' -xanthene ] derivatives and similar compounds as photoactive fluorescent compounds for protein labelling | 爱康治疗公司 | 2024-07-12 | — | — | CN | disclosed |
| CN-111747950-B | Pyrimidine derivatives for the treatment of cancer | 深圳福沃药业有限公司 | 2024-01-23 | — | — | CN | disclosed |
| WO-2023192989-A2 | PHTHALAZINONE COMPOUNDS AS PARP7 INHIBITORS | AZKARRA THERAPEUTICS, INC. (US) | 2023-10-05 | — | — | WO | disclosed |
| US-20230086732-A1 | PHOTOACTIVE FLUORESCENT COMPOUNDS AND USE THEREOF FOR LABELING OF PROTEINS | EIKON THERAPEUTICS INC (US) | 2023-03-23 | — | — | US | disclosed |
| US-8772277-B2 | Nitrogen-containing heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2014-07-08 | — | — | US | disclosed |
| US-20130072467-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2013-03-21 | — | — | US | disclosed |
| US-20090312310-A1 | Imidazothiazole derivatives | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2009-12-17 | — | — | US | disclosed |
| US-20090312310-A1 | Imidazothiazole derivatives | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2009-12-17 | — | — | US | disclosed |
| US-20060189591-A1 | Five-membered heterocyclic derivative | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2006-08-24 | — | — | US | disclosed |
| EP-1621537-A1 | FIVE-MEMBERED HETEROCYCLIC DERIVATIVE | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2006-02-01 | — | — | EP | disclosed |