⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17190372 | 0.89 | ATM (0.30) | — | |
| SCHEMBL3671896 | 0.87 | RAB9A (0.33) | — | |
| SCHEMBL3671892 | 0.87 | RAB9A (0.33) | — | |
| SCHEMBL17192553 | 0.86 | CHRM1 (0.33) | — | |
| SCHEMBL15748132 | 0.85 | RAB9A (0.35) | — | |
| SCHEMBL18891295 | 0.85 | CYP3A4 (0.33) | — | |
| SCHEMBL17190362 | 0.84 | MEN1 (0.30) | — | |
| SCHEMBL17192555 | 0.82 | — | — | |
| SCHEMBL3672246 | 0.82 | MAPT (0.33) | — | |
| SCHEMBL17190370 | 0.81 | — | — |
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 5 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-9421274-B2 | Bio-orthogonal drug activation | KONINKLIJKE PHILIPS N.V. (NL) | 2016-08-23 | — | — | US | disclosed |
| US-20160106859-A1 | BIO-ORTHOGONAL DRUG ACTIVATION | TAGWORKS PHARMACEUTICALS B.V. (NL) | 2016-04-21 | — | — | US | disclosed |
| US-20150344514-A1 | CHEMICALLY CLEAVABLE GROUP | TAGWORKS PHARMACEUTICALS B.V. (NL) | 2015-12-03 | — | — | US | disclosed |
| US-20150297741-A1 | BIO-ORTHOGONAL DRUG ACTIVATION | TAGWORKS PHARMACEUTICALS B.V. (NL) | 2015-10-22 | — | — | US | disclosed |