Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Water. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
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 | |
|---|---|---|---|---|
| SCHEMBL29494622 | 0.94 | ALDH1A1 (0.30) | — | |
| SCHEMBL677 | 0.94 | — | — | |
| SCHEMBL28572070 | 0.94 | ALDH1A1 (0.30) | — | |
| SCHEMBL6508310 | 0.94 | — | — | |
| Phosphine SCHEMBL38660669 | 0.88 | — | — | |
| Water SCHEMBL31341811 | 0.88 | — | — | |
| Water SCHEMBL16486783 | 0.88 | — | — | |
| Lithium Ion SCHEMBL21384946 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL3703847 | 0.88 | — | — | |
| SCHEMBL4829494 | 0.88 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3036244-B1 | PROCESS FOR THE PREPARATION OF 2,2'-BIS-INDENYL BIPHENYL LIGANDS AND THEIR METALLOCENE COMPLEXES | SAUDI BASIC IND CORP (SA) | 2023-08-02 | — | — | EP | disclosed |
| CN-113997650-A | Multilayer structure assembly with force-induced responsiveness | 厦门天策材料科技有限公司 | 2022-02-01 | — | — | CN | disclosed |
| US-4152456-A | ANTIALLERGY, ANTIANAPHYLACTIC | AYERST, MCKENNA AND HARRISON LIMITED (CA) | 1979-05-01 | — | — | US | disclosed |
| US-4152457-A | ANTIALLERGY, ANTIANAPHYLACTIC | AYERST, MCKENNA AND HARRISON LIMITED (CA) | 1979-05-01 | — | — | US | disclosed |
| US-4110468-A | ANTIALLERGENS | AYERST, MCKENNA & HARRISON LIMITED (CA) | 1978-08-29 | — | — | US | disclosed |
| US-4066784-A | ANTIALLERGINS | AYERST, MCKENNA AND HARRISON LTD. (CA) | 1978-01-03 | — | — | US | disclosed |
| US-4011268-A | POLYMER WITH TETRAALKYL PHOSPHONIUM ALKOXIDE, ARYLOXIDE OR HYDROXIDE GROUPS AS CATALYST | THE DOW CHEMICAL COMPANY (US) | 1977-03-08 | — | — | US | disclosed |