⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19704 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL3903046 | 0.61 | — | — | |
| Ammonia Solution, Strong SCHEMBL8850750 | 0.61 | — | — | |
| SCHEMBL8023991 | 0.61 | — | — | |
| Hydrochloric Acid SCHEMBL3932348 | 0.61 | — | — | |
| SCHEMBL1473263 | 0.61 | — | — | |
| Hydrazine SCHEMBL4096587 | 0.55 | — | — | |
| Hydrazine SCHEMBL2350819 | 0.55 | — | — | |
| Ethane SCHEMBL6706965 | 0.55 | — | — | |
| Hydrazine SCHEMBL13889965 | 0.55 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170143840-A1 | BIO-ORTHOGONAL DRUG ACTIVATION | TAGWORKS PHARMACEUTICALS B.V. (NL) | 2017-05-25 | — | — | US | disclosed |
| US-20170081298-A1 | METAL/RADIOMETAL-LABELED PSMA INHIBITORS FOR PSMA-TARGETED IMAGING AND RADIOTHERAPY | THE JOHNS HOPKINS UNIVERSITY (US) | 2017-03-23 | — | — | US | disclosed |
| US-20160251378-A1 | Transmetalation Methods for the Synthesis of PET and SPECT Imaging Agents | ROCHESTER INSTITUTE OF TECHNOLOGY (US) | 2016-09-01 | — | — | US | disclosed |
| US-9421274-B2 | Bio-orthogonal drug activation | KONINKLIJKE PHILIPS N.V. (NL) | 2016-08-23 | — | — | US | disclosed |
| US-20160228587-A1 | LABELED INHIBITORS OF PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA), THEIR USE AS IMAGING AGENTS AND PHARMACEUTICAL AGENTS FOR THE TREATMENT OF PROSTATE CANCER | DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) | 2016-08-11 | — | — | US | disclosed |
| US-20160208021-A1 | Molecular constructs with targeting and effector moieties | Immunwork Inc. (TW) | 2016-07-21 | — | — | US | disclosed |