⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18488392 | 0.92 | CA12 (0.31) | — | |
| SCHEMBL18449784 | 0.84 | CA12 (0.31) | — | |
| SCHEMBL24268407 | 0.83 | CA12 (0.39) | — | |
| SCHEMBL17190433 | 0.83 | NFKB1 (0.31) | — | |
| SCHEMBL17192527 | 0.83 | BCHE (0.33) | — | |
| SCHEMBL22859994 | 0.82 | PKM (0.30) | — | |
| SCHEMBL15750080 | 0.81 | — | — | |
| SCHEMBL21250272 | 0.80 | — | — | |
| SCHEMBL24268550 | 0.80 | — | — | |
| SCHEMBL15747911 | 0.79 | — | — |
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-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 |
| WO-2014081299-A1 | ACTIVATABLE LIPOSOMES | TAGWORKS PHARMACEUTICALS B.V. (NL) | 2014-05-30 | — | — | WO | disclosed |