Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
The experimentally established mechanism targets of Iodide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30212452 | 0.98 | — | — | |
| SCHEMBL84647 | 0.98 | — | — | |
| Ammonia Solution, Strong SCHEMBL7984432 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL5753035 | 0.95 | RAB9A (0.47) | — | |
| Hydrochloric Acid SCHEMBL7170102 | 0.95 | — | — | |
| Nitrous Acid SCHEMBL3384483 | 0.86 | TP53 (0.53) | — | |
| Acetic Acid SCHEMBL28856321 | 0.86 | NPC1 (0.58) | — | |
| Phosphonic Acid SCHEMBL9074395 | 0.86 | RAB9A (0.49) | — | |
| SCHEMBL28162065 | 0.84 | HSP90AA1 (0.44) | — | |
| Ammonia Solution, Strong SCHEMBL29142602 | 0.84 | CYP11B1 (0.45) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016196514-A1 | THIOUREA CATALYSTS | REGENTS OF THE UNIVERSITY OF MINNESOTA (US) | 2016-12-08 | — | — | WO | disclosed |
| EP-0996872-B1 | TONERS CONTAINING POSITIVELY CHARGEABLE MODIFIED PIGMENTS | CABOT CORP (US) | 2010-11-24 | — | — | EP | disclosed |
| EP-0996872-A1 | TONERS CONTAINING POSITIVELY CHARGEABLE MODIFIED PIGMENTS | CABOT CORPORATION (US) | 2000-05-03 | — | — | EP | disclosed |
| US-6054238-A | TONER COMPRISING A STYRENIC POLYMER-BASED RESIN PARTICLES AND MODIFIED PIGMENT PARTICLES HAVING ATTACHED ORGANIC GROUPS OF GIVEN FORMULA CONTAINING AMINES, QUATERNARY AMMONIUM GROUPS, PHOSPHONIUM GROUPS OR PHOSPHINE GROUPS | CABOT CORPORATION (US) | 2000-04-25 | — | — | US | disclosed |
| WO-1999005575-A1 | TONERS CONTAINING POSITIVELY CHARGEABLE MODIFIED PIGMENTS | CABOT CORPORATION (US) | 1999-02-04 | — | — | WO | disclosed |