⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5787087 | 0.67 | — | — | |
| SCHEMBL30190 | 0.67 | — | — | |
| Acrylonitrile SCHEMBL27785680 | 0.63 | — | — | |
| Acrylonitrile SCHEMBL28206502 | 0.60 | ALDH1A1 (0.82) | — | |
| SCHEMBL9815381 | 0.59 | — | — | |
| SCHEMBL6913000 | 0.59 | — | — | |
| SCHEMBL20317 | 0.59 | — | — | |
| SCHEMBL50067 | 0.59 | — | — | |
| SCHEMBL10550667 | 0.59 | — | — | |
| SCHEMBL139417 | 0.56 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0961615-A4 | ANTIMICROBIAL AGENT | DORLIN PHARM INC (US) | 2002-09-11 | — | — | EP | claimed |
| EP-0961615-A1 | ANTIMICROBIAL AGENT | Dorlin Pharmaceuticals, Inc. (US) | 1999-12-08 | — | — | EP | claimed |
| US-5910509-A | ADMINISTERING SUBSTITUTED ISOCHROMENE DERIVATIVE; FUNGICIDES | DORLIN PHARMACEUTICALS, INC. | 1999-06-08 | — | — | US | claimed |
| US-5859027-A | Antimicrobial agent | CHEKTEC CORPORATION (US) | 1999-01-12 | — | — | US | claimed |
| WO-1998037890-A1 | ANTIMICROBIAL AGENT | DORLIN PHARMACEUTICALS, INC. (US) | 1998-09-03 | — | — | WO | claimed |
| EP-0961615-A4 | ANTIMICROBIAL AGENT | DORLIN PHARM INC (US) | 2002-09-11 | — | — | EP | disclosed |
| EP-0961615-A1 | ANTIMICROBIAL AGENT | Dorlin Pharmaceuticals, Inc. (US) | 1999-12-08 | — | — | EP | disclosed |
| US-5910509-A | ADMINISTERING SUBSTITUTED ISOCHROMENE DERIVATIVE; FUNGICIDES | DORLIN PHARMACEUTICALS, INC. | 1999-06-08 | — | — | US | disclosed |
| US-5859027-A | Antimicrobial agent | CHEKTEC CORPORATION (US) | 1999-01-12 | — | — | US | disclosed |
| WO-1998037890-A1 | ANTIMICROBIAL AGENT | DORLIN PHARMACEUTICALS, INC. (US) | 1998-09-03 | — | — | WO | disclosed |
| WO-1998037891-A1 | ANTIMICROBIAL AGENT FOR AGRICULTURE | DORLIN PHARMACEUTICALS, INC. (US) | 1998-09-03 | — | — | WO | disclosed |
| EP-0279681-A2 | Saturated heterocyclic carboxamide derivatives | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1988-08-24 | — | — | EP | disclosed |